6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide

C8H8N6O2 — CID 60983070

IUPAC6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H8N6O2/c15-7-3-9-5(1-10-7)8(16)11-2-6-12-4-13-14-6/h1,3-4H,2H2,(H,10,15)(H,11,16)(H,12,13,14)
InChIKeyKXMQYSZSCLDURE-UHFFFAOYSA-N
MW220.19 g/mol
LogP-1.18
Rot. Bonds3

About 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide

6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide (PubChem CID 60983070) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
PubChem CID60983070
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H8N6O2/c15-7-3-9-5(1-10-7)8(16)11-2-6-12-4-13-14-6/h1,3-4H,2H2,(H,10,15)(H,11,16)(H,12,13,14)
InChIKeyKXMQYSZSCLDURE-UHFFFAOYSA-N
XLogP-1.18
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 91784015
5-hydroxy-N-[1-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]pyrazine-2-carboxamide
CID 91790472
5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 20480345
2-(4H-1,2,4-triazol-3-yl)pyrimidin-4-ol
CID 43654588
N-(1H-1,2,4-triazol-5-ylmethyl)-1H-azepine-2-carboxamide
CID 160461408
1H-1,2,4-triazol-3-yl-N-(2,4-dioxo(1,3-dihydropyrimidin-5-yl))carboxamide
CID 4517916
2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 54883095
2-(2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884818
2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-6-carboxamide
CID 54884944
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884961
6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 54885221
6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 54885222

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide (CID 60983070) is 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide is O=C(NCc1ncn[nH]1)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide?
The InChIKey is KXMQYSZSCLDURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c15-7-3-9-5(1-10-7)8(16)11-2-6-12-4-13-14-6/h1,3-4H,2H2,(H,10,15)(H,11,16)(H,12,13,14).
What are the key properties of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide has a molecular weight of 220.19 g/mol, XLogP of -1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 60983070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).