2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide

C7H9N7O — CID 61393349

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide
SMILESNc1ncn(CC(=O)Nc2ccn[nH]2)n1
InChIInChI=1S/C7H9N7O/c8-7-9-4-14(13-7)3-6(15)11-5-1-2-10-12-5/h1-2,4H,3H2,(H2,8,13)(H2,10,11,12,15)
InChIKeyFKHWDJJDFBDYAS-UHFFFAOYSA-N
MW207.20 g/mol
LogP-0.78
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 61393349) has the molecular formula C7H9N7O and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID61393349
Molecular FormulaC7H9N7O
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide
SMILESNc1ncn(CC(=O)Nc2ccn[nH]2)n1
InChIInChI=1S/C7H9N7O/c8-7-9-4-14(13-7)3-6(15)11-5-1-2-10-12-5/h1-2,4H,3H2,(H2,8,13)(H2,10,11,12,15)
InChIKeyFKHWDJJDFBDYAS-UHFFFAOYSA-N
XLogP-0.78
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide (CID 61393349) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide is Nc1ncn(CC(=O)Nc2ccn[nH]2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is FKHWDJJDFBDYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O/c8-7-9-4-14(13-7)3-6(15)11-5-1-2-10-12-5/h1-2,4H,3H2,(H2,8,13)(H2,10,11,12,15).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 207.20 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 61393349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).