4-(3-Hydroxypropyl)-4H-1,2,4-triazole - CAS 27106-94-1

Catalog:	BB019465
Product Name:	4-(3-Hydroxypropyl)-4H-1,2,4-triazole
CAS:	27106-94-1
Synonyms:	3-(1,2,4-triazol-4-yl)-1-propanol; 3-(1,2,4-triazol-4-yl)propan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	3-(1,2,4-triazol-4-yl)propan-1-ol
Description:	4-(3-Hydroxypropyl)-4H-1,2,4-triazole (CAS# 27106-94-1) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C5H9N3O
Canonical SMILES:	C1=NN=CN1CCCO
InChI:	InChI=1S/C5H9N3O/c9-3-1-2-8-4-6-7-5-8/h4-5,9H,1-3H2
InChI Key:	PSFQZUIYYGSLQU-UHFFFAOYSA-N
Boiling Point:	310.3 °C at 760 mmHg
Density:	1.24 g/cm³
MDL:	MFCD03840804
LogP:	-0.33950

Publication Number	Title	Priority Date
US-2021186935-A1	Rapamycin analogs and uses thereof	20191205
WO-2021113665-A1	Rapamycin analogs and uses thereof	20191205
CN-111278457-A	Compositions and methods for treating cancer and infection using bacteriophage and mutants thereof	20170828
CN-110177785-A	A kind of dihydroisoquinoliness compound	20170113
US-10597420-B2	Derivatives of amphotericin B	20150415

PMID	Publication Date	Title	Journal
12489532	20021104	A spin transition molecular material with a wide bistability domain	Chemistry (Weinheim an der Bergstrasse, Germany)

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Complexity:	72.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.074561919
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.074561919
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1