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

C9H10N6O2 — CID 64510855

IUPACN-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H10N6O2/c1-15(4-7-12-5-13-14-7)9(17)6-2-11-8(16)3-10-6/h2-3,5H,4H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyGNTVWKGBGJYOHG-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.84
Rot. Bonds3

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

N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide (PubChem CID 64510855) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
PubChem CID64510855
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC NameN-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H10N6O2/c1-15(4-7-12-5-13-14-7)9(17)6-2-11-8(16)3-10-6/h2-3,5H,4H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyGNTVWKGBGJYOHG-UHFFFAOYSA-N
XLogP-0.84
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091
N-(2-hydroxypropyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 62334561
N-methyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
CID 64510114
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
6-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 64519120
N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64518148
2,6-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64516867
3,4,5-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511269
N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
CID 64511665
1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 64511849
2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
CID 64519833
N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 115317414

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide (CID 64510855) is N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide?
The InChIKey is GNTVWKGBGJYOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-15(4-7-12-5-13-14-7)9(17)6-2-11-8(16)3-10-6/h2-3,5H,4H2,1H3,(H,11,16)(H,12,13,14).
What are the key properties of N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide?
N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide has a molecular weight of 234.22 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 64510855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).