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3-methyl-1H-pyrazolo[3,4-b]pyrazine

3-methyl-1H-pyrazolo[3,4-b]pyrazine - CAS 1131041-58-1

Catalog:	BB003100
Product Name:	3-methyl-1H-pyrazolo[3,4-b]pyrazine
CAS:	1131041-58-1
Synonyms:	3-methyl-2H-pyrazolo[3,4-b]pyrazine; 3-methyl-2H-pyrazolo[3,4-b]pyrazine

Technical Data

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Computed Properties

IUPAC Name:	3-methyl-2H-pyrazolo[3,4-b]pyrazine
Description:	3-methyl-1H-pyrazolo[3,4-b]pyrazine (CAS# 1131041-58-1) is a useful research chemical.
Molecular Weight:	134.142
Molecular Formula:	C6H6N4
Canonical SMILES:	CC1=C2C(=NN1)N=CC=N2
InChI:	InChI=1S/C6H6N4/c1-4-5-6(10-9-4)8-3-2-7-5/h2-3H,1H3,(H,8,9,10)
InChI Key:	QIXKPYPWMQXIGY-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	0.66130

Publication Number	Title	Priority Date
WO-2021126995-A1	Methods and compositions for treating cancer	20191220
WO-2021110890-A1	Pyridinium derivatives as herbicides	20191206
WO-2020264420-A1	Heterocyclic kinase inhibitors and products and uses thereof	20190628
US-2017202970-A1	Silicon based drug conjugates and methods of using same	20150512
US-2018148418-A1	Amido-substituted cyclohexane derivatives	20150505

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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.059246208
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.059246208
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2