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

C14H17N3O — CID 113301681

IUPAC[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C1CC1c1ccccc1
InChIInChI=1S/C14H17N3O/c1-2-17-13(9-18)15-16-14(17)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12,18H,2,8-9H2,1H3
InChIKeyZTHODOSLXUNNFI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.06
Rot. Bonds4

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

[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 113301681) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID113301681
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C1CC1c1ccccc1
InChIInChI=1S/C14H17N3O/c1-2-17-13(9-18)15-16-14(17)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12,18H,2,8-9H2,1H3
InChIKeyZTHODOSLXUNNFI-UHFFFAOYSA-N
XLogP2.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 115397058
4-ethyl-3-(2-phenylcyclopropyl)-1H-1,2,4-triazole-5-thione
CID 17022621
3-(bromomethyl)-4-(2-methoxyethyl)-5-(2-phenylcyclopropyl)-1,2,4-triazole
CID 115398926
[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 115396745
N-(3-acetylphenyl)-2-[[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17303456
N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 112596248
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 91770458
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 91768725
[4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine
CID 112593552
[4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 113301649
[2-[[4-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 91767706
2-[4-(dimethylamino)phenyl]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91783484

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol (CID 113301681) is [4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1C1CC1c1ccccc1.
What is the InChIKey of [4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is ZTHODOSLXUNNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-17-13(9-18)15-16-14(17)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12,18H,2,8-9H2,1H3.
What are the key properties of [4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol?
[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 243.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).