6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile

C11H9N5O — CID 137351578

IUPAC6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(-n2ncc(C=O)n2)nc(C)c1C#N
InChIInChI=1S/C11H9N5O/c1-7-3-11(14-8(2)10(7)4-12)16-13-5-9(6-17)15-16/h3,5-6H,1-2H3
InChIKeyOUPKHLRAMUSRRO-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.96
Rot. Bonds2

About 6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile

6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 137351578) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile
PubChem CID137351578
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(-n2ncc(C=O)n2)nc(C)c1C#N
InChIInChI=1S/C11H9N5O/c1-7-3-11(14-8(2)10(7)4-12)16-13-5-9(6-17)15-16/h3,5-6H,1-2H3
InChIKeyOUPKHLRAMUSRRO-UHFFFAOYSA-N
XLogP0.96
TPSA84.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile (CID 137351578) is 6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(-n2ncc(C=O)n2)nc(C)c1C#N.
What is the InChIKey of 6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is OUPKHLRAMUSRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-3-11(14-8(2)10(7)4-12)16-13-5-9(6-17)15-16/h3,5-6H,1-2H3.
What are the key properties of 6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile?
6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 227.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formyltriazol-2-yl)-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 137351578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).