Tetrazole-5-methanol - CAS 80251-76-9

Catalog:	BB036483
Product Name:	Tetrazole-5-methanol
CAS:	80251-76-9
Synonyms:	2H-tetrazol-5-ylmethanol; 2H-tetrazol-5-ylmethanol

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Computed Properties

IUPAC Name:	2H-tetrazol-5-ylmethanol
Description:	Tetrazole-5-methanol (CAS# 80251-76-9) is a useful reagent used in the synthesis of tetrazole and furan derivatives.
Molecular Weight:	100.08
Molecular Formula:	C2H4N4O
Canonical SMILES:	C(C1=NNN=N1)O
InChI:	InChI=1S/C2H4N4O/c7-1-2-3-5-6-4-2/h7H,1H2,(H,3,4,5,6)
InChI Key:	CHMNRJCRDOWYLX-UHFFFAOYSA-N
LogP:	2.16578

Publication Number	Title	Priority Date
WO-2021174355-A1	Inhibitors of human herpesviruses	20200303
CN-111269192-A	Synthesis method of 5-hydroxymethyl tetrazole and derivatives thereof	20200225
WO-2020222011-A1	Itaconic acid derivatives and uses thereof in treating an inflammatory disease or a disease associated with an undesirable immune response	20190430
AU-2014365823-A1	P2X3 and/or P2X2/3 compounds and methods	20131216
AU-2014365823-B2	P2X3 and/or P2X2/3 compounds and methods	20131216

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501
Signal Word:	Warning

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.03851076
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	100.03851076
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4