(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol

C10H11N3O — CID 13224129

IUPAC(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol
SMILESCn1nc(-c2ccccc2)nc1CO
InChIInChI=1S/C10H11N3O/c1-13-9(7-14)11-10(12-13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3
InChIKeyPBLQPTDTINPFBC-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.97
Rot. Bonds2

About (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol

(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol (PubChem CID 13224129) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol
PubChem CID13224129
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol
SMILESCn1nc(-c2ccccc2)nc1CO
InChIInChI=1S/C10H11N3O/c1-13-9(7-14)11-10(12-13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3
InChIKeyPBLQPTDTINPFBC-UHFFFAOYSA-N
XLogP0.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol (CID 13224129) is (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol is Cn1nc(-c2ccccc2)nc1CO.
What is the InChIKey of (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is PBLQPTDTINPFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-9(7-14)11-10(12-13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3.
What are the key properties of (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol?
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 189.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 13224129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).