N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide

C10H12N6O — CID 47210661

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCCn1cnnc1CNC(=O)c1cnccn1
InChIInChI=1S/C10H12N6O/c1-2-16-7-14-15-9(16)6-13-10(17)8-5-11-3-4-12-8/h3-5,7H,2,6H2,1H3,(H,13,17)
InChIKeyRUTRBYLFLGEYAJ-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.02
Rot. Bonds4

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 47210661) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID47210661
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCCn1cnnc1CNC(=O)c1cnccn1
InChIInChI=1S/C10H12N6O/c1-2-16-7-14-15-9(16)6-13-10(17)8-5-11-3-4-12-8/h3-5,7H,2,6H2,1H3,(H,13,17)
InChIKeyRUTRBYLFLGEYAJ-UHFFFAOYSA-N
XLogP0.02
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,1-dimethylimidazole-4-carboxamide
CID 165415160
6-(1,2,4-Triazol-1-yl)pyrazine-2-carboxamide
CID 457575
3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 90402524
6-Imidazol-1-ylpyrazine-2-carboxamide
CID 479368
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 53600135
(3-Aminopyrazin-2-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53608906
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 72142910
(5-Methylpyrazin-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72145703
N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-pyrazinecarboxamide
CID 91922568
6-(dimethylamino)-N-(1H-tetrazol-5-yl)-2-pyrazinecarboxamide
CID 194903
6-[(trans-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)amino]-N,N-dimethylpyrazine-2-carboxamide
CID 91764573

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide (CID 47210661) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide is CCn1cnnc1CNC(=O)c1cnccn1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is RUTRBYLFLGEYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-2-16-7-14-15-9(16)6-13-10(17)8-5-11-3-4-12-8/h3-5,7H,2,6H2,1H3,(H,13,17).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 232.25 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47210661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).