3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine

C14H14N6 — CID 135447735

IUPAC3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine
SMILESCc1n[nH]nc1/C=C/C=C/c1cccc2c(C)nnn12
InChIInChI=1S/C14H14N6/c1-10-13(17-18-15-10)8-4-3-6-12-7-5-9-14-11(2)16-19-20(12)14/h3-9H,1-2H3,(H,15,17,18)/b6-3+,8-4+
InChIKeyBOPDOGZECAEWSK-PHQNLGIASA-N
MW266.31 g/mol
LogP2.19
Rot. Bonds3

About 3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine

3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine (PubChem CID 135447735) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine
PubChem CID135447735
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine
SMILESCc1n[nH]nc1/C=C/C=C/c1cccc2c(C)nnn12
InChIInChI=1S/C14H14N6/c1-10-13(17-18-15-10)8-4-3-6-12-7-5-9-14-11(2)16-19-20(12)14/h3-9H,1-2H3,(H,15,17,18)/b6-3+,8-4+
InChIKeyBOPDOGZECAEWSK-PHQNLGIASA-N
XLogP2.19
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde
CID 10374726
2-amino-1-(3-methyltriazolo[1,5-a]pyridin-7-yl)propan-1-ol
CID 84674225
2-(methylamino)-1-(3-methyltriazolo[1,5-a]pyridin-7-yl)ethanone
CID 84672312
5-methyl-2H-triazole-4-carbaldehyde
CID 58120769
3-bromo-7-methyltriazolo[1,5-a]pyridine
CID 83821057
(E)-3-(1-methylindol-2-yl)prop-2-enal
CID 146445442
4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 12585362
1-tert-butyl-4-methylbenzotriazole
CID 21069623
1-ethyl-4-methylbenzotriazole
CID 121401272
4-methyl-1-prop-2-enylbenzotriazole
CID 134239382
3-(1,3-dimethylindazol-4-yl)butanal
CID 117308183
3-(1-methylpyrrol-2-yl)prop-2-enal
CID 54354656

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine?
The IUPAC name of 3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine (CID 135447735) is 3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine.
What is the SMILES notation for 3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine?
The canonical SMILES for 3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine is Cc1n[nH]nc1/C=C/C=C/c1cccc2c(C)nnn12.
What is the InChIKey of 3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine?
The InChIKey is BOPDOGZECAEWSK-PHQNLGIASA-N. The full InChI is InChI=1S/C14H14N6/c1-10-13(17-18-15-10)8-4-3-6-12-7-5-9-14-11(2)16-19-20(12)14/h3-9H,1-2H3,(H,15,17,18)/b6-3+,8-4+.
What are the key properties of 3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine?
3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine has a molecular weight of 266.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine is sourced from PubChem (CID 135447735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).