methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate

C13H11N5O2 — CID 135217214

IUPACmethyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate
SMILESCOC(=O)c1ccc2cnn(-c3nccnc3N)c2c1
InChIInChI=1S/C13H11N5O2/c1-20-13(19)8-2-3-9-7-17-18(10(9)6-8)12-11(14)15-4-5-16-12/h2-7H,1H3,(H2,14,15)
InChIKeyIMJADRBCPBCNIR-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.18
Rot. Bonds2

About methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate

methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate (PubChem CID 135217214) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate
PubChem CID135217214
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Namemethyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate
SMILESCOC(=O)c1ccc2cnn(-c3nccnc3N)c2c1
InChIInChI=1S/C13H11N5O2/c1-20-13(19)8-2-3-9-7-17-18(10(9)6-8)12-11(14)15-4-5-16-12/h2-7H,1H3,(H2,14,15)
InChIKeyIMJADRBCPBCNIR-UHFFFAOYSA-N
XLogP1.18
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(6-aminoindazol-1-yl)pyrimidine-2-carboxylate
CID 66285327
methyl 1-(pyridin-3-ylmethyl)indazole-6-carboxylate
CID 169187998
methyl 1-tritylindazole-6-carboxylate
CID 172754699
[3-(6-carboxyindazol-1-yl)pyrazin-2-yl]imino-iminoazanium
CID 126484537
methyl 1-chloroindazole-5-carboxylate
CID 175375288
methyl 2-(aminomethyl)-1-methylindole-6-carboxylate
CID 84786095
methyl 2-aminoquinoline-7-carboxylate
CID 118266696
dimethyl isoquinoline-3,6-dicarboxylate
CID 155973058
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
methyl isoquinoline-6-carboxylate;sulfuric acid
CID 75485670
methyl 3-methoxyisoquinoline-7-carboxylate
CID 126676671
methyl 2-bromo-1-methylindole-6-carboxylate
CID 131471893

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate?
The IUPAC name of methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate (CID 135217214) is methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate.
What is the SMILES notation for methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate?
The canonical SMILES for methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate is COC(=O)c1ccc2cnn(-c3nccnc3N)c2c1.
What is the InChIKey of methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate?
The InChIKey is IMJADRBCPBCNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-20-13(19)8-2-3-9-7-17-18(10(9)6-8)12-11(14)15-4-5-16-12/h2-7H,1H3,(H2,14,15).
What are the key properties of methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate?
methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate is sourced from PubChem (CID 135217214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).