4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide

C9H11N7O — CID 114386772

IUPAC4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2nccnn2)n1
InChIInChI=1S/C9H11N7O/c1-2-16-5-6(10)7(15-16)8(17)13-9-11-3-4-12-14-9/h3-5H,2,10H2,1H3,(H,11,13,14,17)
InChIKeyAQQNLPHFKHEDSO-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.08
Rot. Bonds3

About 4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide (PubChem CID 114386772) has the molecular formula C9H11N7O and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide
PubChem CID114386772
Molecular FormulaC9H11N7O
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2nccnn2)n1
InChIInChI=1S/C9H11N7O/c1-2-16-5-6(10)7(15-16)8(17)13-9-11-3-4-12-14-9/h3-5H,2,10H2,1H3,(H,11,13,14,17)
InChIKeyAQQNLPHFKHEDSO-UHFFFAOYSA-N
XLogP-0.08
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 65363321
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CID 114615025
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4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide
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CID 65358599

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide (CID 114386772) is 4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2nccnn2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide?
The InChIKey is AQQNLPHFKHEDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O/c1-2-16-5-6(10)7(15-16)8(17)13-9-11-3-4-12-14-9/h3-5H,2,10H2,1H3,(H,11,13,14,17).
What are the key properties of 4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(1,2,4-triazin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 114386772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).