1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine

C9H14N4 — CID 166085082

IUPAC1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
SMILESCc1nc(C2=CCN(C)CC2)n[nH]1
InChIInChI=1S/C9H14N4/c1-7-10-9(12-11-7)8-3-5-13(2)6-4-8/h3H,4-6H2,1-2H3,(H,10,11,12)
InChIKeyXNBQHXKLNGXWIQ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.83
Rot. Bonds1

About 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine

1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 166085082) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID166085082
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
SMILESCc1nc(C2=CCN(C)CC2)n[nH]1
InChIInChI=1S/C9H14N4/c1-7-10-9(12-11-7)8-3-5-13(2)6-4-8/h3H,4-6H2,1-2H3,(H,10,11,12)
InChIKeyXNBQHXKLNGXWIQ-UHFFFAOYSA-N
XLogP0.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 126790384
5-fluoro-1-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 129348535
5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 129348536
3-cyclohexa-1,5-dien-1-yl-5-propan-2-yl-1H-1,2,4-triazole
CID 17946487
5-(1,5-Dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
CID 19612494
1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine
CID 19612514
6-(5-methyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-thiol
CID 59233287
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
5-methyl-3-[(3E,5Z)-2-methylhepta-3,5-dien-3-yl]-1H-1,2,4-triazole
CID 88947372
5-methyl-3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-1,2,4-triazole
CID 89611446
5-(2-Methyl-propenyl)-3-pyrrolidin-1-yl-1H-[1,2,4]triazole
CID 90017697
5-[(E)-2-methylbut-1-enyl]-3-pyrrolidin-1-yl-1H-1,2,4-triazole
CID 90026098

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine (CID 166085082) is 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine is Cc1nc(C2=CCN(C)CC2)n[nH]1.
What is the InChIKey of 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is XNBQHXKLNGXWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-10-9(12-11-7)8-3-5-13(2)6-4-8/h3H,4-6H2,1-2H3,(H,10,11,12).
What are the key properties of 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 178.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 166085082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).