(5-ethyl-2-phenyltriazol-4-yl)methanol

C11H13N3O — CID 18002316

IUPAC(5-ethyl-2-phenyltriazol-4-yl)methanol
SMILESCCc1nn(-c2ccccc2)nc1CO
InChIInChI=1S/C11H13N3O/c1-2-10-11(8-15)13-14(12-10)9-6-4-3-5-7-9/h3-7,15H,2,8H2,1H3
InChIKeyIATWIBZSORYSOM-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.32
Rot. Bonds3

About (5-ethyl-2-phenyltriazol-4-yl)methanol

(5-ethyl-2-phenyltriazol-4-yl)methanol (PubChem CID 18002316) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (5-ethyl-2-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-2-phenyltriazol-4-yl)methanol
PubChem CID18002316
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(5-ethyl-2-phenyltriazol-4-yl)methanol
SMILESCCc1nn(-c2ccccc2)nc1CO
InChIInChI=1S/C11H13N3O/c1-2-10-11(8-15)13-14(12-10)9-6-4-3-5-7-9/h3-7,15H,2,8H2,1H3
InChIKeyIATWIBZSORYSOM-UHFFFAOYSA-N
XLogP1.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-phenyltriazol-4-yl)methanol?
The IUPAC name of (5-ethyl-2-phenyltriazol-4-yl)methanol (CID 18002316) is (5-ethyl-2-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (5-ethyl-2-phenyltriazol-4-yl)methanol?
The canonical SMILES for (5-ethyl-2-phenyltriazol-4-yl)methanol is CCc1nn(-c2ccccc2)nc1CO.
What is the InChIKey of (5-ethyl-2-phenyltriazol-4-yl)methanol?
The InChIKey is IATWIBZSORYSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-10-11(8-15)13-14(12-10)9-6-4-3-5-7-9/h3-7,15H,2,8H2,1H3.
What are the key properties of (5-ethyl-2-phenyltriazol-4-yl)methanol?
(5-ethyl-2-phenyltriazol-4-yl)methanol has a molecular weight of 203.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 18002316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).