4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide

C15H21N5O — CID 120560664

IUPAC4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCCn1cnnc1-c1ccccc1NC(=O)CCC(C)N
InChIInChI=1S/C15H21N5O/c1-3-20-10-17-19-15(20)12-6-4-5-7-13(12)18-14(21)9-8-11(2)16/h4-7,10-11H,3,8-9,16H2,1-2H3,(H,18,21)
InChIKeyVIOYJVSEOCFIED-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.03
Rot. Bonds6

About 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide

4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide (PubChem CID 120560664) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide
PubChem CID120560664
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCCn1cnnc1-c1ccccc1NC(=O)CCC(C)N
InChIInChI=1S/C15H21N5O/c1-3-20-10-17-19-15(20)12-6-4-5-7-13(12)18-14(21)9-8-11(2)16/h4-7,10-11H,3,8-9,16H2,1-2H3,(H,18,21)
InChIKeyVIOYJVSEOCFIED-UHFFFAOYSA-N
XLogP2.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide 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-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119733347
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536714
4-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]butanoic acid
CID 122079973
3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119733331
4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120563814
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 43706709
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 71879000
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119294822
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80543408

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide (CID 120560664) is 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide is CCn1cnnc1-c1ccccc1NC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The InChIKey is VIOYJVSEOCFIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-20-10-17-19-15(20)12-6-4-5-7-13(12)18-14(21)9-8-11(2)16/h4-7,10-11H,3,8-9,16H2,1-2H3,(H,18,21).
What are the key properties of 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide has a molecular weight of 287.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide is sourced from PubChem (CID 120560664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).