(1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane

C19H25N3O — CID 91466703

IUPAC(1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane
SMILESCC.CC.OCc1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H13N3O.2C2H6/c19-11-14-16-15(12-7-3-1-4-8-12)18(17-14)13-9-5-2-6-10-13;2*1-2/h1-10,19H,11H2;2*1-2H3
InChIKeyBVZOVFCCMKPOBO-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.48
Rot. Bonds3

About (1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane

(1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane (PubChem CID 91466703) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane.

Molecular Properties

Compound Name(1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane
PubChem CID91466703
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane
SMILESCC.CC.OCc1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H13N3O.2C2H6/c19-11-14-16-15(12-7-3-1-4-8-12)18(17-14)13-9-5-2-6-10-13;2*1-2/h1-10,19H,11H2;2*1-2H3
InChIKeyBVZOVFCCMKPOBO-UHFFFAOYSA-N
XLogP4.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol
CID 877391
(4-methyl-1,5-diphenylpyrazol-3-yl)methanol
CID 22832035
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
CID 17288729
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
(4-chloro-5-methyl-1-phenylpyrazol-3-yl)methanol
CID 118148435
1-[4-[(E)-2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]ethenyl]phenyl]-3,5-diphenyl-1,2,4-triazole
CID 89201714
N-tert-butyl-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288734
propan-2-yl 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17288856
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119653023

Frequently Asked Questions

What is the IUPAC name of (1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane?
The IUPAC name of (1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane (CID 91466703) is (1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane.
What is the SMILES notation for (1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane?
The canonical SMILES for (1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane is CC.CC.OCc1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of (1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane?
The InChIKey is BVZOVFCCMKPOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O.2C2H6/c19-11-14-16-15(12-7-3-1-4-8-12)18(17-14)13-9-5-2-6-10-13;2*1-2/h1-10,19H,11H2;2*1-2H3.
What are the key properties of (1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane?
(1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane has a molecular weight of 311.43 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-diphenyl-1,2,4-triazol-3-yl)methanol;ethane is sourced from PubChem (CID 91466703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).