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

C9H14N4 — CID 10932009

IUPAC1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2ncn(C)n2)C1
InChIInChI=1S/C9H14N4/c1-12-5-3-4-8(6-12)9-10-7-13(2)11-9/h4,7H,3,5-6H2,1-2H3
InChIKeyNRQYYIYUKKBVJY-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.53
Rot. Bonds1

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

1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 10932009) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID10932009
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2ncn(C)n2)C1
InChIInChI=1S/C9H14N4/c1-12-5-3-4-8(6-12)9-10-7-13(2)11-9/h4,7H,3,5-6H2,1-2H3
InChIKeyNRQYYIYUKKBVJY-UHFFFAOYSA-N
XLogP0.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine (CID 10932009) is 1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine is CN1CCC=C(c2ncn(C)n2)C1.
What is the InChIKey of 1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is NRQYYIYUKKBVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-12-5-3-4-8(6-12)9-10-7-13(2)11-9/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 178.24 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10932009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).