6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile

C10H7N5O — CID 134523949

IUPAC6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile
SMILESCc1cc(-n2cc(C=O)nn2)ncc1C#N
InChIInChI=1S/C10H7N5O/c1-7-2-10(12-4-8(7)3-11)15-5-9(6-16)13-14-15/h2,4-6H,1H3
InChIKeyYTTCWTSRRQBADA-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.65
Rot. Bonds2

About 6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile

6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile (PubChem CID 134523949) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile
PubChem CID134523949
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile
SMILESCc1cc(-n2cc(C=O)nn2)ncc1C#N
InChIInChI=1S/C10H7N5O/c1-7-2-10(12-4-8(7)3-11)15-5-9(6-16)13-14-15/h2,4-6H,1H3
InChIKeyYTTCWTSRRQBADA-UHFFFAOYSA-N
XLogP0.65
TPSA84.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-formyl-4-methylpyridine-3-carbonitrile
CID 131440294
6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile
CID 134531443
6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile
CID 146481730
6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile
CID 134523645
6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 166906107
1-(2,5-dichloro-4-methylphenyl)triazole-4-carbaldehyde
CID 104728558
4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile
CID 137351285
methyl 3-(5-cyano-4-methyl-2-pyridinyl)-2-oxo-1H-imidazole-5-carboxylate
CID 134523808
6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile
CID 134523720
6-[4-[[[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]pyrazol-1-yl]-4-methylpyridine-3-carbonitrile
CID 134531192
1-[(3,5-dimethylphenyl)methyl]triazole-4-carbaldehyde
CID 66214567
1-(5-bromo-4-fluoro-2-methylphenyl)triazole-4-carbaldehyde
CID 107590390

Frequently Asked Questions

What is the IUPAC name of 6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile (CID 134523949) is 6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile is Cc1cc(-n2cc(C=O)nn2)ncc1C#N.
What is the InChIKey of 6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile?
The InChIKey is YTTCWTSRRQBADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c1-7-2-10(12-4-8(7)3-11)15-5-9(6-16)13-14-15/h2,4-6H,1H3.
What are the key properties of 6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile?
6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile has a molecular weight of 213.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 134523949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).