5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine

C25H34N4O — CID 11395654

IUPAC5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine
SMILESCCCC[C@H](c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1
InChIInChI=1S/C25H34N4O/c1-6-8-14-23(20-12-10-9-11-13-20)29(17-7-2)25-26-24(28(4)27-25)22-16-15-21(30-5)18-19(22)3/h9-13,15-16,18,23H,6-8,14,17H2,1-5H3/t23-/m1/s1
InChIKeyXLEAWWFFZMNYAE-HSZRJFAPSA-N
MW406.57 g/mol
LogP5.95
Rot. Bonds10

About 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine

5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine (PubChem CID 11395654) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine
PubChem CID11395654
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine
SMILESCCCC[C@H](c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1
InChIInChI=1S/C25H34N4O/c1-6-8-14-23(20-12-10-9-11-13-20)29(17-7-2)25-26-24(28(4)27-25)22-16-15-21(30-5)18-19(22)3/h9-13,15-16,18,23H,6-8,14,17H2,1-5H3/t23-/m1/s1
InChIKeyXLEAWWFFZMNYAE-HSZRJFAPSA-N
XLogP5.95
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine 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

5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine;hydrochloride
CID 70682930
5-(4-chloro-2-methoxyphenyl)-1-methyl-N-(1-phenylbutyl)-N-propyl-1,2,4-triazol-3-amine
CID 11212115
4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 18967770
N-phenoxy-1-phenyl-N-propylpentan-1-amine
CID 88834253
(2R)-1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]hexan-2-ol
CID 93222991
4-(2-chloro-4-methoxy-5-methylphenyl)-5-methyl-N-[(1S)-1-phenylpentyl]-N-prop-2-ynyl-1,3-thiazol-2-amine
CID 87619591
2-[4-(2-ethylhexoxy)-2-methylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58830701
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine
CID 10271375
1-(2-chloro-4-methoxyphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-propyl-1,2,4-triazol-3-amine
CID 10278233
1-methoxy-4-nonan-5-ylbenzene
CID 14937032

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine (CID 11395654) is 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine is CCCC[C@H](c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1.
What is the InChIKey of 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine?
The InChIKey is XLEAWWFFZMNYAE-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H34N4O/c1-6-8-14-23(20-12-10-9-11-13-20)29(17-7-2)25-26-24(28(4)27-25)22-16-15-21(30-5)18-19(22)3/h9-13,15-16,18,23H,6-8,14,17H2,1-5H3/t23-/m1/s1.
What are the key properties of 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine?
5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine has a molecular weight of 406.57 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 11395654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).