3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide

C7H6N6O — CID 15563989

IUPAC3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1-n1cncn1
InChIInChI=1S/C7H6N6O/c8-6(14)5-7(11-2-1-10-5)13-4-9-3-12-13/h1-4H,(H2,8,14)
InChIKeyYTBSKHFNOLWEIY-UHFFFAOYSA-N
MW190.17 g/mol
LogP-0.84
Rot. Bonds2

About 3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide

3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide (PubChem CID 15563989) has the molecular formula C7H6N6O and a molecular weight of 190.17 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide
PubChem CID15563989
Molecular FormulaC7H6N6O
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1-n1cncn1
InChIInChI=1S/C7H6N6O/c8-6(14)5-7(11-2-1-10-5)13-4-9-3-12-13/h1-4H,(H2,8,14)
InChIKeyYTBSKHFNOLWEIY-UHFFFAOYSA-N
XLogP-0.84
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide (CID 15563989) is 3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide is NC(=O)c1nccnc1-n1cncn1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide?
The InChIKey is YTBSKHFNOLWEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O/c8-6(14)5-7(11-2-1-10-5)13-4-9-3-12-13/h1-4H,(H2,8,14).
What are the key properties of 3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide?
3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide has a molecular weight of 190.17 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 15563989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).