N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide

C10H12N6O2 — CID 113456534

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cnc(C)cn2)n1
InChIInChI=1S/C10H12N6O2/c1-3-18-10-14-9(15-16-10)13-8(17)7-5-11-6(2)4-12-7/h4-5H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyGEXZLOVYWBPBDV-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.55
Rot. Bonds4

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide (PubChem CID 113456534) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
PubChem CID113456534
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cnc(C)cn2)n1
InChIInChI=1S/C10H12N6O2/c1-3-18-10-14-9(15-16-10)13-8(17)7-5-11-6(2)4-12-7/h4-5H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyGEXZLOVYWBPBDV-UHFFFAOYSA-N
XLogP0.55
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide
CID 104817809
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
CID 104817634
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 104818172
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3,4-trifluorobenzamide
CID 104818343
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methyl-5-nitrobenzamide
CID 104818168
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methoxypyridine-4-carboxamide
CID 105064012

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide (CID 113456534) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide is CCOc1n[nH]c(NC(=O)c2cnc(C)cn2)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide?
The InChIKey is GEXZLOVYWBPBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-3-18-10-14-9(15-16-10)13-8(17)7-5-11-6(2)4-12-7/h4-5H,3H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide has a molecular weight of 248.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 113456534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).