1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol

C13H17N3O — CID 102048497

IUPAC1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol
SMILESCCC(O)c1nn(CC)nc1-c1ccccc1
InChIInChI=1S/C13H17N3O/c1-3-11(17)13-12(14-16(4-2)15-13)10-8-6-5-7-9-10/h5-9,11,17H,3-4H2,1-2H3
InChIKeyXIWMBSKWLDHJMQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol

1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol (PubChem CID 102048497) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol
PubChem CID102048497
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol
SMILESCCC(O)c1nn(CC)nc1-c1ccccc1
InChIInChI=1S/C13H17N3O/c1-3-11(17)13-12(14-16(4-2)15-13)10-8-6-5-7-9-10/h5-9,11,17H,3-4H2,1-2H3
InChIKeyXIWMBSKWLDHJMQ-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
CID 51684343
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol
CID 3756816
N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine
CID 94073987
2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole
CID 89104477
2-[3-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propylamino]ethanol
CID 125114243
1-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029639
(2S)-N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124830978
1-phenylpropan-1-ol;hydrate
CID 156782934
(1S)-1-[2-(4-phenylpyrazol-1-yl)phenyl]propan-1-ol
CID 103960389
1-(4-phenylfuro[3,2-c]quinolin-2-yl)propan-1-ol
CID 101407719
1-(8-methyl-2-phenylquinolin-3-yl)propan-1-ol
CID 67198448
(2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
CID 124820127

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol?
The IUPAC name of 1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol (CID 102048497) is 1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol is CCC(O)c1nn(CC)nc1-c1ccccc1.
What is the InChIKey of 1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol?
The InChIKey is XIWMBSKWLDHJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-11(17)13-12(14-16(4-2)15-13)10-8-6-5-7-9-10/h5-9,11,17H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol?
1-(2-ethyl-5-phenyltriazol-4-yl)propan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.41, 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-phenyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 102048497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).