1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine

C19H26N4 — CID 75504899

IUPAC1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCc1nnc(CNC2(Cc3ccccc3)CCCC2)n1C1CC1
InChIInChI=1S/C19H26N4/c1-15-21-22-18(23(15)17-9-10-17)14-20-19(11-5-6-12-19)13-16-7-3-2-4-8-16/h2-4,7-8,17,20H,5-6,9-14H2,1H3
InChIKeyINWXNAILNHYSPK-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.57
Rot. Bonds6

About 1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine

1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 75504899) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID75504899
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCc1nnc(CNC2(Cc3ccccc3)CCCC2)n1C1CC1
InChIInChI=1S/C19H26N4/c1-15-21-22-18(23(15)17-9-10-17)14-20-19(11-5-6-12-19)13-16-7-3-2-4-8-16/h2-4,7-8,17,20H,5-6,9-14H2,1H3
InChIKeyINWXNAILNHYSPK-UHFFFAOYSA-N
XLogP3.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine 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-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (CID 75504899) is 1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is Cc1nnc(CNC2(Cc3ccccc3)CCCC2)n1C1CC1.
What is the InChIKey of 1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is INWXNAILNHYSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15-21-22-18(23(15)17-9-10-17)14-20-19(11-5-6-12-19)13-16-7-3-2-4-8-16/h2-4,7-8,17,20H,5-6,9-14H2,1H3.
What are the key properties of 1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 310.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 75504899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).