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

C16H16N6O — CID 51201655

IUPACN-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnccn1
InChIInChI=1S/C16H16N6O/c1-12(21(2)16(23)15-9-17-7-8-19-15)13-3-5-14(6-4-13)22-11-18-10-20-22/h3-12H,1-2H3
InChIKeyZAGZATMIHZHCME-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.89
Rot. Bonds4

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

N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 51201655) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID51201655
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnccn1
InChIInChI=1S/C16H16N6O/c1-12(21(2)16(23)15-9-17-7-8-19-15)13-3-5-14(6-4-13)22-11-18-10-20-22/h3-12H,1-2H3
InChIKeyZAGZATMIHZHCME-UHFFFAOYSA-N
XLogP1.89
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834
4-N-methyl-4-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46613787
N-methyl-2-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 26817104
3,5-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471095
methyl 4-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]benzoate
CID 9471114
N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
CID 78808654
3-methoxy-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17461750
N-methyl-4-phenoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 55383558
2-(4-chlorophenyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 24515799
N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 46587409
N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclobutanecarboxamide
CID 8820417
5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
CID 85018454

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide (CID 51201655) is N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide is CC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnccn1.
What is the InChIKey of N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is ZAGZATMIHZHCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-12(21(2)16(23)15-9-17-7-8-19-15)13-3-5-14(6-4-13)22-11-18-10-20-22/h3-12H,1-2H3.
What are the key properties of N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide?
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51201655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).