N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide

C17H16N6O — CID 110092896

IUPACN-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C2CCc3nncn3C2)c1)c1cnccn1
InChIInChI=1S/C17H16N6O/c24-17(15-9-18-6-7-19-15)21-14-3-1-2-12(8-14)13-4-5-16-22-20-11-23(16)10-13/h1-3,6-9,11,13H,4-5,10H2,(H,21,24)
InChIKeyWZMFTXAICFTMHM-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.05
Rot. Bonds3

About N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide

N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 110092896) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide
PubChem CID110092896
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C2CCc3nncn3C2)c1)c1cnccn1
InChIInChI=1S/C17H16N6O/c24-17(15-9-18-6-7-19-15)21-14-3-1-2-12(8-14)13-4-5-16-22-20-11-23(16)10-13/h1-3,6-9,11,13H,4-5,10H2,(H,21,24)
InChIKeyWZMFTXAICFTMHM-UHFFFAOYSA-N
XLogP2.05
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazine-2-carboxamide
CID 110742560
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide
CID 110260366
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide
CID 58102999
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
N-[4-[(5S)-1-acetyl-5-methylpyrrolidin-2-yl]-3-fluorophenyl]pyrazine-2-carboxamide
CID 67482899
N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide
CID 170977185

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide (CID 110092896) is N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(C2CCc3nncn3C2)c1)c1cnccn1.
What is the InChIKey of N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is WZMFTXAICFTMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c24-17(15-9-18-6-7-19-15)21-14-3-1-2-12(8-14)13-4-5-16-22-20-11-23(16)10-13/h1-3,6-9,11,13H,4-5,10H2,(H,21,24).
What are the key properties of N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide?
N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110092896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).