6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide

C9H10N6O2 — CID 64546397

IUPAC6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H10N6O2/c16-8-4-11-6(3-12-8)9(17)10-2-1-7-13-5-14-15-7/h3-5H,1-2H2,(H,10,17)(H,12,16)(H,13,14,15)
InChIKeyFMJGWMLWTAAOMM-UHFFFAOYSA-N
MW234.22 g/mol
LogP-1.14
Rot. Bonds4

About 6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide

6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide (PubChem CID 64546397) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide
PubChem CID64546397
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H10N6O2/c16-8-4-11-6(3-12-8)9(17)10-2-1-7-13-5-14-15-7/h3-5H,1-2H2,(H,10,17)(H,12,16)(H,13,14,15)
InChIKeyFMJGWMLWTAAOMM-UHFFFAOYSA-N
XLogP-1.14
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide (CID 64546397) is 6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide is O=C(NCCc1ncn[nH]1)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide?
The InChIKey is FMJGWMLWTAAOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c16-8-4-11-6(3-12-8)9(17)10-2-1-7-13-5-14-15-7/h3-5H,1-2H2,(H,10,17)(H,12,16)(H,13,14,15).
What are the key properties of 6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide?
6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide has a molecular weight of 234.22 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 64546397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).