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

C9H13N7O — CID 54951734

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESNc1ncn(CC(=O)NCCn2cccn2)n1
InChIInChI=1S/C9H13N7O/c10-9-12-7-16(14-9)6-8(17)11-3-5-15-4-1-2-13-15/h1-2,4,7H,3,5-6H2,(H2,10,14)(H,11,17)
InChIKeyJOQLKNBRIRCKDK-UHFFFAOYSA-N
MW235.25 g/mol
LogP-1.13
Rot. Bonds5

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 54951734) 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-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID54951734
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESNc1ncn(CC(=O)NCCn2cccn2)n1
InChIInChI=1S/C9H13N7O/c10-9-12-7-16(14-9)6-8(17)11-3-5-15-4-1-2-13-15/h1-2,4,7H,3,5-6H2,(H2,10,14)(H,11,17)
InChIKeyJOQLKNBRIRCKDK-UHFFFAOYSA-N
XLogP-1.13
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide (CID 54951734) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide is Nc1ncn(CC(=O)NCCn2cccn2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is JOQLKNBRIRCKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c10-9-12-7-16(14-9)6-8(17)11-3-5-15-4-1-2-13-15/h1-2,4,7H,3,5-6H2,(H2,10,14)(H,11,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 235.25 g/mol, XLogP of -1.13, 5 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-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 54951734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).