1-Methyl-1H-tetrazole-5-methanol - CAS 1707562-96-6

Catalog:	BB012669
Product Name:	1-Methyl-1H-tetrazole-5-methanol
CAS:	1707562-96-6
Synonyms:	(1-methyl-5-tetrazolyl)methanol; (1-methyltetrazol-5-yl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(1-methyltetrazol-5-yl)methanol
Description:	1-Methyl-1H-tetrazole-5-methanol (CAS# 1707562-96-6 ) is a useful research chemical.
Molecular Weight:	114.11
Molecular Formula:	C3H6N4O
Canonical SMILES:	CN1C(=NN=N1)CO
InChI:	InChI=1S/C3H6N4O/c1-7-3(2-8)4-5-6-7/h8H,2H2,1H3
InChI Key:	PXLNFNPKVSGUDU-UHFFFAOYSA-N
LogP:	-1.29760

Publication Number	Title	Priority Date
WO-2021127397-A1	Nitrogen heterocyclic compounds and methods of use	20191219
WO-2021080330-A1	Nicotinamide compound and herbicidal composition comprising compound	20191021
KR-20210047264-A	Nicotinamide Compounds and Herbicide Composition Comprising the Same	20191021
TW-202019406-A	Substituted tetrahydrocyclopenta[c]pyrrole, substituted dihydropyrrole, their analogues and methods of using them	20180727
CN-112638376-A	Substituted tetrahydrocyclopenta [ c ] pyrroles, substituted dihydropyrrolizines, analogs thereof and methods of use thereof	20180727

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Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.05416083
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.05416083
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3