2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde

C12H12N6O — CID 174601310

IUPAC2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde
SMILESCc1ccnc(N2NC=C(n3ccnn3)C2C=O)c1
InChIInChI=1S/C12H12N6O/c1-9-2-3-13-12(6-9)18-11(8-19)10(7-15-18)17-5-4-14-16-17/h2-8,11,15H,1H3
InChIKeyQVDJMINYUWZCRR-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.37
Rot. Bonds3

About 2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde

2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde (PubChem CID 174601310) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde
PubChem CID174601310
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde
SMILESCc1ccnc(N2NC=C(n3ccnn3)C2C=O)c1
InChIInChI=1S/C12H12N6O/c1-9-2-3-13-12(6-9)18-11(8-19)10(7-15-18)17-5-4-14-16-17/h2-8,11,15H,1H3
InChIKeyQVDJMINYUWZCRR-UHFFFAOYSA-N
XLogP0.37
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(3-methylazetidin-1-yl)pyrimidin-4-yl]-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde
CID 175272958
1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
CID 62663428
4-bromo-2-(triazol-1-yl)pyridine
CID 84689537
4-fluoro-2-(triazol-1-yl)pyridine
CID 142795340
ethane;4-propan-2-yl-2-(triazol-1-yl)pyridine
CID 164878129
1-(2-bromo-4-methylphenyl)triazole
CID 84700534
1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183869
2-(3-cyclopropylpyrazol-1-yl)-4-methylpyridine
CID 59448030
(3S)-1-(4-methyl-2-pyridinyl)-3-prop-2-enylpyrrolidin-2-one
CID 15473361
1-(4-methyl-2-pyridinyl)imidazolidin-2-one
CID 122219864
4-amino-1-(4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 43521184
ethyl 1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylate
CID 125453403

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde (CID 174601310) is 2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde is Cc1ccnc(N2NC=C(n3ccnn3)C2C=O)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde?
The InChIKey is QVDJMINYUWZCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-9-2-3-13-12(6-9)18-11(8-19)10(7-15-18)17-5-4-14-16-17/h2-8,11,15H,1H3.
What are the key properties of 2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde?
2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde has a molecular weight of 256.27 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-4-(triazol-1-yl)-1,3-dihydropyrazole-3-carbaldehyde is sourced from PubChem (CID 174601310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).