[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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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).