methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate

C10H12N6O2 — CID 66456495

IUPACmethyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCc2nncn2C)n1
InChIInChI=1S/C10H12N6O2/c1-16-6-13-15-9(16)5-12-8-4-11-3-7(14-8)10(17)18-2/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyKXLJKAOOAZEEBD-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.00
Rot. Bonds4

About methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate

methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate (PubChem CID 66456495) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate
PubChem CID66456495
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Namemethyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCc2nncn2C)n1
InChIInChI=1S/C10H12N6O2/c1-16-6-13-15-9(16)5-12-8-4-11-3-7(14-8)10(17)18-2/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyKXLJKAOOAZEEBD-UHFFFAOYSA-N
XLogP0.00
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate (CID 66456495) is methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCc2nncn2C)n1.
What is the InChIKey of methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate?
The InChIKey is KXLJKAOOAZEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-16-6-13-15-9(16)5-12-8-4-11-3-7(14-8)10(17)18-2/h3-4,6H,5H2,1-2H3,(H,12,14).
What are the key properties of methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate?
methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate has a molecular weight of 248.25 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66456495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).