6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide

C8H6N4O3 — CID 60722966

IUPAC6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(=O)oc1
InChIInChI=1S/C8H6N4O3/c13-6-2-1-5(3-15-6)7(14)11-8-9-4-10-12-8/h1-4H,(H2,9,10,11,12,14)
InChIKeyHAEFWZRSMUWPLK-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.01
Rot. Bonds2

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

6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide (PubChem CID 60722966) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide
PubChem CID60722966
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(=O)oc1
InChIInChI=1S/C8H6N4O3/c13-6-2-1-5(3-15-6)7(14)11-8-9-4-10-12-8/h1-4H,(H2,9,10,11,12,14)
InChIKeyHAEFWZRSMUWPLK-UHFFFAOYSA-N
XLogP0.01
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073
4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 110463040
4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866056
3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide
CID 110469115
1-methyl-N-(1H-1,2,4-triazol-5-yl)indazole-6-carboxamide
CID 110475562
4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 7376074
N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide
CID 63718442
N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
CID 28739534
N-(6-amino-3-pyridinyl)-6-oxopyran-3-carboxamide
CID 62899372
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2334782
4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30865174
5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide
CID 82344382

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide (CID 60722966) is 6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide is O=C(Nc1ncn[nH]1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide?
The InChIKey is HAEFWZRSMUWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c13-6-2-1-5(3-15-6)7(14)11-8-9-4-10-12-8/h1-4H,(H2,9,10,11,12,14).
What are the key properties of 6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide?
6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide has a molecular weight of 206.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 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-yl)pyran-3-carboxamide is sourced from PubChem (CID 60722966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).