[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol

C10H12N4O — CID 61256892

IUPAC[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(-n2cncn2)n1
InChIInChI=1S/C10H12N4O/c1-7-3-8(2)13-10(9(7)4-15)14-6-11-5-12-14/h3,5-6,15H,4H2,1-2H3
InChIKeyOJGUWBUSAKYULL-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.77
Rot. Bonds2

About [4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol

[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol (PubChem CID 61256892) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is [4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol
PubChem CID61256892
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(-n2cncn2)n1
InChIInChI=1S/C10H12N4O/c1-7-3-8(2)13-10(9(7)4-15)14-6-11-5-12-14/h3,5-6,15H,4H2,1-2H3
InChIKeyOJGUWBUSAKYULL-UHFFFAOYSA-N
XLogP0.77
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol (CID 61256892) is [4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(-n2cncn2)n1.
What is the InChIKey of [4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol?
The InChIKey is OJGUWBUSAKYULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-3-8(2)13-10(9(7)4-15)14-6-11-5-12-14/h3,5-6,15H,4H2,1-2H3.
What are the key properties of [4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol?
[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol has a molecular weight of 204.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 61256892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).