5-Iodo-1-methyl-1H-tetrazole - CAS 33452-18-5

Catalog:	BB021719
Product Name:	5-Iodo-1-methyl-1H-tetrazole
CAS:	33452-18-5
Synonyms:	5-iodo-1-methyltetrazole

Technical Data

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Computed Properties

IUPAC Name:	5-iodo-1-methyltetrazole
Description:	5-Iodo-1-methyl-1H-tetrazole (CAS# 33452-18-5) is a useful research chemical.
Molecular Weight:	209.98
Molecular Formula:	C2H3IN4
Canonical SMILES:	CN1C(=NN=N1)I
InChI:	InChI=1S/C2H3IN4/c1-7-2(3)4-5-6-7/h1H3
InChI Key:	HOTGKPZHBAAUIM-UHFFFAOYSA-N
MDL:	MFCD12827507
LogP:	-0.18530

Publication Number	Title	Priority Date
WO-2019143719-A1	Inhibitors of cyclin-dependent kinase 7 (cdk7)	20180116
AU-2019209470-A1	Inhibitors of cyclin-dependent kinase 7 (CDK7)	20180116
EP-3740207-A1	Inhibitors of cyclin-dependent kinase 7 (cdk7)	20180116
AU-2014244661-A1	Novel oxazolidinone derivative as CETP inhibitor, its preparation method, and pharmaceutical composition comprising the same	20130329
CA-2904964-A1	Novel oxazolidinone derivative as cetp inhibitor, its preparation method, and pharmaceutical composition comprising the same	20130329

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Related Functional Groups

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[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[832740-88-2]
5-(4-Difluoromethoxy-phenyl)-2H-tetrazole
[494194-50-2]
5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
[1305320-61-9]
5-[2-(2-Naphthyloxy)phenyl]-2H-tetrazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.94024
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.94024
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3