methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate

C11H13N5O2 — CID 66457699

IUPACmethyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCc2cnn(C)c2)n1
InChIInChI=1S/C11H13N5O2/c1-16-7-8(4-14-16)3-13-10-6-12-5-9(15-10)11(17)18-2/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyYMUJKJZFRWPWJO-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.61
Rot. Bonds4

About methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate

methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate (PubChem CID 66457699) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
PubChem CID66457699
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Namemethyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCc2cnn(C)c2)n1
InChIInChI=1S/C11H13N5O2/c1-16-7-8(4-14-16)3-13-10-6-12-5-9(15-10)11(17)18-2/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyYMUJKJZFRWPWJO-UHFFFAOYSA-N
XLogP0.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66287055
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 155403307
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
CID 104577442
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
CID 115455097
methyl 5-acetyl-2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106697343
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457844
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169
methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
CID 66455933
methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
CID 66457320

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate (CID 66457699) is methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCc2cnn(C)c2)n1.
What is the InChIKey of methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate?
The InChIKey is YMUJKJZFRWPWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16-7-8(4-14-16)3-13-10-6-12-5-9(15-10)11(17)18-2/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate?
methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate has a molecular weight of 247.26 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).