N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide

C19H21N5O — CID 72880499

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
SMILESCc1ccccc1C(CC(=O)NCc1nc(N)n[nH]1)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-13-7-5-6-10-15(13)16(14-8-3-2-4-9-14)11-18(25)21-12-17-22-19(20)24-23-17/h2-10,16H,11-12H2,1H3,(H,21,25)(H3,20,22,23,24)
InChIKeyIKRCLQIDLMRWHB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.53
Rot. Bonds6

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide (PubChem CID 72880499) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
PubChem CID72880499
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
SMILESCc1ccccc1C(CC(=O)NCc1nc(N)n[nH]1)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-13-7-5-6-10-15(13)16(14-8-3-2-4-9-14)11-18(25)21-12-17-22-19(20)24-23-17/h2-10,16H,11-12H2,1H3,(H,21,25)(H3,20,22,23,24)
InChIKeyIKRCLQIDLMRWHB-UHFFFAOYSA-N
XLogP2.53
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide 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 N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide (CID 72880499) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide is Cc1ccccc1C(CC(=O)NCc1nc(N)n[nH]1)c1ccccc1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide?
The InChIKey is IKRCLQIDLMRWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-7-5-6-10-15(13)16(14-8-3-2-4-9-14)11-18(25)21-12-17-22-19(20)24-23-17/h2-10,16H,11-12H2,1H3,(H,21,25)(H3,20,22,23,24).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide has a molecular weight of 335.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 72880499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).