N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide

C12H15N5O2 — CID 16786257

IUPACN-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)n2cncn2)c(N)c1
InChIInChI=1S/C12H15N5O2/c1-8(17-7-14-6-15-17)12(18)16-11-4-3-9(19-2)5-10(11)13/h3-8H,13H2,1-2H3,(H,16,18)
InChIKeyDTVUXUGLPULALV-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.07
Rot. Bonds4

About N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 16786257) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID16786257
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)n2cncn2)c(N)c1
InChIInChI=1S/C12H15N5O2/c1-8(17-7-14-6-15-17)12(18)16-11-4-3-9(19-2)5-10(11)13/h3-8H,13H2,1-2H3,(H,16,18)
InChIKeyDTVUXUGLPULALV-UHFFFAOYSA-N
XLogP1.07
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide 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

N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16783732
5-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 61405860
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
N-(2-bromo-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 81028083
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
(2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950233
N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42957341
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355441
N-(2-amino-4-methoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779396
N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75517942
N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86784056

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 16786257) is N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide is COc1ccc(NC(=O)C(C)n2cncn2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DTVUXUGLPULALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(17-7-14-6-15-17)12(18)16-11-4-3-9(19-2)5-10(11)13/h3-8H,13H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 261.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 16786257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).