N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide

C12H10N6O2 — CID 83102478

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cnc3ccccc3n2)n1
InChIInChI=1S/C12H10N6O2/c1-20-12-16-11(17-18-12)15-10(19)9-6-13-7-4-2-3-5-8(7)14-9/h2-6H,1H3,(H2,15,16,17,18,19)
InChIKeyPYBNLZGSHLCRDN-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.01
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide (PubChem CID 83102478) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
PubChem CID83102478
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cnc3ccccc3n2)n1
InChIInChI=1S/C12H10N6O2/c1-20-12-16-11(17-18-12)15-10(19)9-6-13-7-4-2-3-5-8(7)14-9/h2-6H,1H3,(H2,15,16,17,18,19)
InChIKeyPYBNLZGSHLCRDN-UHFFFAOYSA-N
XLogP1.01
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 83097894
4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83093226
4-(chloromethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83102350
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide
CID 83097160
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1H-indazole-3-carboxamide
CID 83086847
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-propan-2-ylbenzamide
CID 83086635
2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83092939
3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
CID 107519851
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103947311
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
CID 106688417

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide (CID 83102478) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide is COc1n[nH]c(NC(=O)c2cnc3ccccc3n2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide?
The InChIKey is PYBNLZGSHLCRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c1-20-12-16-11(17-18-12)15-10(19)9-6-13-7-4-2-3-5-8(7)14-9/h2-6H,1H3,(H2,15,16,17,18,19).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 83102478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).