N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide

C18H16N8O — CID 121020007

IUPACN-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
SMILESCn1nc(-c2cnccn2)cc1CNC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H16N8O/c1-25-14(9-15(23-25)16-11-19-7-8-20-16)10-21-18(27)17-12-22-26(24-17)13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,21,27)
InChIKeyKGLXMAPWUNMKOL-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.39
Rot. Bonds5

About N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide

N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide (PubChem CID 121020007) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
PubChem CID121020007
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC NameN-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
SMILESCn1nc(-c2cnccn2)cc1CNC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H16N8O/c1-25-14(9-15(23-25)16-11-19-7-8-20-16)10-21-18(27)17-12-22-26(24-17)13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,21,27)
InChIKeyKGLXMAPWUNMKOL-UHFFFAOYSA-N
XLogP1.39
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 121020006
1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 121020005
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 119102746
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide
CID 122245887
(E)-3-(2-methylphenyl)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 121020018
3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 121020020
2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide
CID 155961647
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121122688
N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 9400525
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
(3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide
CID 129355114
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121122163

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide (CID 121020007) is N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide is Cn1nc(-c2cnccn2)cc1CNC(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is KGLXMAPWUNMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c1-25-14(9-15(23-25)16-11-19-7-8-20-16)10-21-18(27)17-12-22-26(24-17)13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,21,27).
What are the key properties of N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide?
N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 121020007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).