3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide

C15H16N8O — CID 135375450

IUPAC3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
SMILESCc1cccnc1CNC(=O)c1nc(C)c(-n2ccnn2)nc1N
InChIInChI=1S/C15H16N8O/c1-9-4-3-5-17-11(9)8-18-15(24)12-13(16)21-14(10(2)20-12)23-7-6-19-22-23/h3-7H,8H2,1-2H3,(H2,16,21)(H,18,24)
InChIKeyHVGUHUCYFZTFOA-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.58
Rot. Bonds4

About 3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide

3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide (PubChem CID 135375450) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
PubChem CID135375450
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
SMILESCc1cccnc1CNC(=O)c1nc(C)c(-n2ccnn2)nc1N
InChIInChI=1S/C15H16N8O/c1-9-4-3-5-17-11(9)8-18-15(24)12-13(16)21-14(10(2)20-12)23-7-6-19-22-23/h3-7H,8H2,1-2H3,(H2,16,21)(H,18,24)
InChIKeyHVGUHUCYFZTFOA-UHFFFAOYSA-N
XLogP0.58
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide (CID 135375450) is 3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide is Cc1cccnc1CNC(=O)c1nc(C)c(-n2ccnn2)nc1N.
What is the InChIKey of 3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
The InChIKey is HVGUHUCYFZTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c1-9-4-3-5-17-11(9)8-18-15(24)12-13(16)21-14(10(2)20-12)23-7-6-19-22-23/h3-7H,8H2,1-2H3,(H2,16,21)(H,18,24).
What are the key properties of 3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 135375450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).