[1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol

C9H10N4O — CID 130302419

IUPAC[1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol
SMILESCc1cc(-n2cc(CO)nn2)ccn1
InChIInChI=1S/C9H10N4O/c1-7-4-9(2-3-10-7)13-5-8(6-14)11-12-13/h2-5,14H,6H2,1H3
InChIKeyGSOPUESIBBOGAW-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.46
Rot. Bonds2

About [1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol

[1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol (PubChem CID 130302419) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is [1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol
PubChem CID130302419
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name[1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol
SMILESCc1cc(-n2cc(CO)nn2)ccn1
InChIInChI=1S/C9H10N4O/c1-7-4-9(2-3-10-7)13-5-8(6-14)11-12-13/h2-5,14H,6H2,1H3
InChIKeyGSOPUESIBBOGAW-UHFFFAOYSA-N
XLogP0.46
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol (CID 130302419) is [1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol is Cc1cc(-n2cc(CO)nn2)ccn1.
What is the InChIKey of [1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol?
The InChIKey is GSOPUESIBBOGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7-4-9(2-3-10-7)13-5-8(6-14)11-12-13/h2-5,14H,6H2,1H3.
What are the key properties of [1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol?
[1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol has a molecular weight of 190.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-4-pyridinyl)triazol-4-yl]methanol is sourced from PubChem (CID 130302419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).