2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide

C9H13N7O — CID 54901711

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cn2cnc(N)n2)cn1
InChIInChI=1S/C9H13N7O/c1-2-15-4-7(3-12-15)13-8(17)5-16-6-11-9(10)14-16/h3-4,6H,2,5H2,1H3,(H2,10,14)(H,13,17)
InChIKeyMNXTWWRZJVBIHE-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.28
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 54901711) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
PubChem CID54901711
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)Cn2cnc(N)n2)cn1
InChIInChI=1S/C9H13N7O/c1-2-15-4-7(3-12-15)13-8(17)5-16-6-11-9(10)14-16/h3-4,6H,2,5H2,1H3,(H2,10,14)(H,13,17)
InChIKeyMNXTWWRZJVBIHE-UHFFFAOYSA-N
XLogP-0.28
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide 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

2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide
CID 60911455
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396
1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66287862
(1-ethylpyrazol-4-yl)thiourea
CID 43543607
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 60911192
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide
CID 66352507
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide (CID 54901711) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide is CCn1cc(NC(=O)Cn2cnc(N)n2)cn1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is MNXTWWRZJVBIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-2-15-4-7(3-12-15)13-8(17)5-16-6-11-9(10)14-16/h3-4,6H,2,5H2,1H3,(H2,10,14)(H,13,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 235.25 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 54901711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).