4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine

C15H24N4 — CID 143200385

IUPAC4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine
SMILESCCCCCCCc1nc(C2=CCN(C)C=C2)n[nH]1
InChIInChI=1S/C15H24N4/c1-3-4-5-6-7-8-14-16-15(18-17-14)13-9-11-19(2)12-10-13/h9-11H,3-8,12H2,1-2H3,(H,16,17,18)
InChIKeyIFYMQAQGXSDAKW-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.16
Rot. Bonds7

About 4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine

4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine (PubChem CID 143200385) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine.

Molecular Properties

Compound Name4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine
PubChem CID143200385
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine
SMILESCCCCCCCc1nc(C2=CCN(C)C=C2)n[nH]1
InChIInChI=1S/C15H24N4/c1-3-4-5-6-7-8-14-16-15(18-17-14)13-9-11-19(2)12-10-13/h9-11H,3-8,12H2,1-2H3,(H,16,17,18)
InChIKeyIFYMQAQGXSDAKW-UHFFFAOYSA-N
XLogP3.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)
CID 59252448
N-[(1Z,3E)-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dienyl]methanimine
CID 132126166
2-(3-buta-1,3-dien-2-yl-1H-1,2,4-triazol-5-yl)-N,N-dimethylethanamine
CID 139453871
1-ethyl-4-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 141395362
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydroazepine;molecular hydrogen
CID 142136444
ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
CID 142265870
(1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine
CID 146247684
1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
CID 166085082
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydroazepine
CID 142136445

Frequently Asked Questions

What is the IUPAC name of 4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine?
The IUPAC name of 4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine (CID 143200385) is 4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine.
What is the SMILES notation for 4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine?
The canonical SMILES for 4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine is CCCCCCCc1nc(C2=CCN(C)C=C2)n[nH]1.
What is the InChIKey of 4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine?
The InChIKey is IFYMQAQGXSDAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-4-5-6-7-8-14-16-15(18-17-14)13-9-11-19(2)12-10-13/h9-11H,3-8,12H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine?
4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine has a molecular weight of 260.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine is sourced from PubChem (CID 143200385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).