(1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine

C18H19ClN4 — CID 118879299

IUPAC(1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
SMILESN[C@H](CCc1ccccc1)c1n[nH]c(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4/c19-15-9-6-14(7-10-15)12-17-21-18(23-22-17)16(20)11-8-13-4-2-1-3-5-13/h1-7,9-10,16H,8,11-12,20H2,(H,21,22,23)/t16-/m1/s1
InChIKeyOAZKRYXQQJXMNN-MRXNPFEDSA-N
MW326.83 g/mol
LogP3.68
Rot. Bonds6

About (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine

(1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine (PubChem CID 118879299) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
PubChem CID118879299
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name(1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
SMILESN[C@H](CCc1ccccc1)c1n[nH]c(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4/c19-15-9-6-14(7-10-15)12-17-21-18(23-22-17)16(20)11-8-13-4-2-1-3-5-13/h1-7,9-10,16H,8,11-12,20H2,(H,21,22,23)/t16-/m1/s1
InChIKeyOAZKRYXQQJXMNN-MRXNPFEDSA-N
XLogP3.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-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 (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine?
The IUPAC name of (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine (CID 118879299) is (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine?
The canonical SMILES for (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine is N[C@H](CCc1ccccc1)c1n[nH]c(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine?
The InChIKey is OAZKRYXQQJXMNN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-15-9-6-14(7-10-15)12-17-21-18(23-22-17)16(20)11-8-13-4-2-1-3-5-13/h1-7,9-10,16H,8,11-12,20H2,(H,21,22,23)/t16-/m1/s1.
What are the key properties of (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine?
(1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine has a molecular weight of 326.83 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 118879299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).