4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine

C17H26N6 — CID 72851856

IUPAC4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1
InChIInChI=1S/C17H26N6/c1-13(2)22-8-5-14(6-9-22)17-20-19-16(23(17)15-3-4-15)11-21-10-7-18-12-21/h7,10,12-15H,3-6,8-9,11H2,1-2H3
InChIKeyGJMIEWFHONARCO-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.45
Rot. Bonds5

About 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine

4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine (PubChem CID 72851856) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
PubChem CID72851856
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1
InChIInChI=1S/C17H26N6/c1-13(2)22-8-5-14(6-9-22)17-20-19-16(23(17)15-3-4-15)11-21-10-7-18-12-21/h7,10,12-15H,3-6,8-9,11H2,1-2H3
InChIKeyGJMIEWFHONARCO-UHFFFAOYSA-N
XLogP2.45
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[4-Cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72918546
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 53590281
2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 70711544
methyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70738536
3-(1-methyl-1H-imidazol-2-yl)-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 70743009
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 70771458
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 71928265
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 71928295
1-cyclohexyl-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72866892
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[3-(methylthio)propyl]piperidine
CID 72874958
3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 72877825
2-{4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}propane-1,3-diol
CID 72881974

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine (CID 72851856) is 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine is CC(C)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1.
What is the InChIKey of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The InChIKey is GJMIEWFHONARCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-13(2)22-8-5-14(6-9-22)17-20-19-16(23(17)15-3-4-15)11-21-10-7-18-12-21/h7,10,12-15H,3-6,8-9,11H2,1-2H3.
What are the key properties of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine has a molecular weight of 314.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 72851856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).