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

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

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Related Compounds

methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate
CID 66287047
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80821706
methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
CID 66457699
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
CID 104577442
2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457844
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
6-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
CID 63330911
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
CID 113247403
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291
methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate
CID 66457721
methyl 3-amino-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzoate
CID 112578761

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).