6-Methyl-1H-indazole - CAS 698-24-8

Catalog:	BB033986
Product Name:	6-Methyl-1H-indazole
CAS:	698-24-8
Synonyms:	6-methyl-1H-indazole; 6-methyl-1H-indazole

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Computed Properties

IUPAC Name:	6-methyl-1H-indazole
Description:	6-Methyl-1H-indazole (CAS# 698-24-8) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	CC1=CC2=C(C=C1)C=NN2
InChI:	InChI=1S/C8H8N2/c1-6-2-3-7-5-9-10-8(7)4-6/h2-5H,1H3,(H,9,10)
InChI Key:	HMMPHXCOTBASBC-UHFFFAOYSA-N
Boiling Point:	285.136 °C at 760 mmHg
Purity:	98 %
Density:	1.187 g/cm³
LogP:	1.87130

Publication Number	Title	Priority Date
WO-2021108803-A1	Fused pyrimidine pyridinone compounds as jak inhibitors	20191126
WO-2021064142-A1	Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer	20191002
WO-2021062327-A1	Fused pyrimidine compounds, compositions and medicinal applications thereof	20190927
US-2021069208-A1	Rip1 inhibitory compounds and methods for making and using the same	20190906
WO-2021046382-A1	Rip1 inhibitory compounds and methods for making and using the same	20190906

PMID	Publication Date	Title	Journal
11354365	20010507	Inhibition of neuronal nitric oxide synthase by 7-methoxyindazole and related substituted indazoles	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Indazoles

[885278-74-0]
Ethyl 1H-Indazole-7-carboxylate
[253801-04-6]
Indazole-5-carboxaldehyde
[13744-68-8]
N1-(6-Indazolyl)sulfanilamide
[290368-00-2]
1-Boc-3-iodo-1H-indazole
[1260381-83-6]
5-Bromo-7-fluoro-1H-indazole
[3176-66-7]
7-Methyl-1H-indazole

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.068748264
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1