methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate

C14H17N5O2 — CID 166292064

IUPACmethyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCc3n[nH]c(C)c3C2)n1
InChIInChI=1S/C14H17N5O2/c1-8-10-5-9(3-4-11(10)19-18-8)16-13-7-15-6-12(17-13)14(20)21-2/h6-7,9H,3-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFHIUIWTVURHHTM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.26
Rot. Bonds3

About methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate

methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate (PubChem CID 166292064) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate
PubChem CID166292064
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Namemethyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCc3n[nH]c(C)c3C2)n1
InChIInChI=1S/C14H17N5O2/c1-8-10-5-9(3-4-11(10)19-18-8)16-13-7-15-6-12(17-13)14(20)21-2/h6-7,9H,3-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFHIUIWTVURHHTM-UHFFFAOYSA-N
XLogP1.26
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]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

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate (CID 166292064) is methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CCc3n[nH]c(C)c3C2)n1.
What is the InChIKey of methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate?
The InChIKey is FHIUIWTVURHHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8-10-5-9(3-4-11(10)19-18-8)16-13-7-15-6-12(17-13)14(20)21-2/h6-7,9H,3-5H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate?
methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 166292064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).