1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine

C19H24N6 — CID 157014610

IUPAC1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine
SMILESCc1nc(-c2cnc(-c3ccccc3)n2C)n(C2CCN(C)CC2)n1
InChIInChI=1S/C19H24N6/c1-14-21-19(25(22-14)16-9-11-23(2)12-10-16)17-13-20-18(24(17)3)15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3
InChIKeySFSITLCZRLRDOQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.92
Rot. Bonds3

About 1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine

1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine (PubChem CID 157014610) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine
PubChem CID157014610
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine
SMILESCc1nc(-c2cnc(-c3ccccc3)n2C)n(C2CCN(C)CC2)n1
InChIInChI=1S/C19H24N6/c1-14-21-19(25(22-14)16-9-11-23(2)12-10-16)17-13-20-18(24(17)3)15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3
InChIKeySFSITLCZRLRDOQ-UHFFFAOYSA-N
XLogP2.92
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine 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-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine?
The IUPAC name of 1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine (CID 157014610) is 1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine?
The canonical SMILES for 1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine is Cc1nc(-c2cnc(-c3ccccc3)n2C)n(C2CCN(C)CC2)n1.
What is the InChIKey of 1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine?
The InChIKey is SFSITLCZRLRDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14-21-19(25(22-14)16-9-11-23(2)12-10-16)17-13-20-18(24(17)3)15-7-5-4-6-8-15/h4-8,13,16H,9-12H2,1-3H3.
What are the key properties of 1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine?
1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine has a molecular weight of 336.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-5-(3-methyl-2-phenylimidazol-4-yl)-1,2,4-triazol-1-yl]piperidine is sourced from PubChem (CID 157014610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).