[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol

C13H15N3O — CID 115397058

IUPAC[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CC1c1ccccc1
InChIInChI=1S/C13H15N3O/c1-16-12(8-17)14-15-13(16)11-7-10(11)9-5-3-2-4-6-9/h2-6,10-11,17H,7-8H2,1H3
InChIKeyISGCTKHZUNMAKF-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.58
Rot. Bonds3

About [4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol

[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115397058) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115397058
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CC1c1ccccc1
InChIInChI=1S/C13H15N3O/c1-16-12(8-17)14-15-13(16)11-7-10(11)9-5-3-2-4-6-9/h2-6,10-11,17H,7-8H2,1H3
InChIKeyISGCTKHZUNMAKF-UHFFFAOYSA-N
XLogP1.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 113301681
N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 112596248
3-(bromomethyl)-4-(2-methoxyethyl)-5-(2-phenylcyclopropyl)-1,2,4-triazole
CID 115398926
4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole
CID 115393362
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 74234693
cis-(1R,2R)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopentan-1-amine
CID 99634981
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide
CID 91786458
4-ethyl-3-(2-phenylcyclopropyl)-1H-1,2,4-triazole-5-thione
CID 17022621
[4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol
CID 130892520
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 91783286
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol (CID 115397058) is [4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1C1CC1c1ccccc1.
What is the InChIKey of [4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is ISGCTKHZUNMAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-12(8-17)14-15-13(16)11-7-10(11)9-5-3-2-4-6-9/h2-6,10-11,17H,7-8H2,1H3.
What are the key properties of [4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 229.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115397058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).