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

C14H17N3O — CID 131943781

IUPAC[1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol
SMILESCCn1nc(-c2ccccc2)nc1C1(CO)CC1
InChIInChI=1S/C14H17N3O/c1-2-17-13(14(10-18)8-9-14)15-12(16-17)11-6-4-3-5-7-11/h3-7,18H,2,8-10H2,1H3
InChIKeyFEDOBKXDZPEFFK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.99
Rot. Bonds4

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

[1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol (PubChem CID 131943781) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol
PubChem CID131943781
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol
SMILESCCn1nc(-c2ccccc2)nc1C1(CO)CC1
InChIInChI=1S/C14H17N3O/c1-2-17-13(14(10-18)8-9-14)15-12(16-17)11-6-4-3-5-7-11/h3-7,18H,2,8-10H2,1H3
InChIKeyFEDOBKXDZPEFFK-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenol
CID 146512266
1-ethyl-5-(1-fluorocyclopropyl)-3-(4-phenylmethoxyphenyl)-1,2,4-triazole
CID 146512265
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-3-propylpiperidine
CID 63135950
1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)butan-1-one
CID 828601
4-(2-butyl-5-phenyl-1,2,4-triazol-3-yl)phenol
CID 136783165
5-fluoro-1-heptyl-3-phenyl-1,2,4-triazole
CID 175254788
5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324384
1-ethyl-3-phenyl-1,2,4-triazole
CID 54474328
4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine
CID 72875840
methyl 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetate
CID 43839948
1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole
CID 171317665
1-ethyl-3-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 121214529

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol?
The IUPAC name of [1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol (CID 131943781) is [1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol is CCn1nc(-c2ccccc2)nc1C1(CO)CC1.
What is the InChIKey of [1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol?
The InChIKey is FEDOBKXDZPEFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-17-13(14(10-18)8-9-14)15-12(16-17)11-6-4-3-5-7-11/h3-7,18H,2,8-10H2,1H3.
What are the key properties of [1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol?
[1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol has a molecular weight of 243.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)cyclopropyl]methanol is sourced from PubChem (CID 131943781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).