(1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine

C15H22N4 — CID 104983677

IUPAC(1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
SMILESCCCn1c(C)nnc1[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H22N4/c1-3-11-19-12(2)17-18-15(19)14(16)10-9-13-7-5-4-6-8-13/h4-8,14H,3,9-11,16H2,1-2H3/t14-/m0/s1
InChIKeyBTKVXODXJBLJEX-AWEZNQCLSA-N
MW258.37 g/mol
LogP2.63
Rot. Bonds6

About (1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine

(1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine (PubChem CID 104983677) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is (1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
PubChem CID104983677
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name(1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
SMILESCCCn1c(C)nnc1[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H22N4/c1-3-11-19-12(2)17-18-15(19)14(16)10-9-13-7-5-4-6-8-13/h4-8,14H,3,9-11,16H2,1-2H3/t14-/m0/s1
InChIKeyBTKVXODXJBLJEX-AWEZNQCLSA-N
XLogP2.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(5-methyl-4-propyl-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 (1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine?
The IUPAC name of (1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine (CID 104983677) is (1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for (1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine?
The canonical SMILES for (1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine is CCCn1c(C)nnc1[C@@H](N)CCc1ccccc1.
What is the InChIKey of (1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine?
The InChIKey is BTKVXODXJBLJEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-11-19-12(2)17-18-15(19)14(16)10-9-13-7-5-4-6-8-13/h4-8,14H,3,9-11,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine?
(1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 104983677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).