methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate

C11H13N3O2 — CID 84786637

IUPACmethyl 6-(aminomethyl)-1-methylindazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c2cc(CN)ccc12
InChIInChI=1S/C11H13N3O2/c1-14-9-5-7(6-12)3-4-8(9)10(13-14)11(15)16-2/h3-5H,6,12H2,1-2H3
InChIKeyLKUKZNXUVGHVJR-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.82
Rot. Bonds2

About methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate

methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate (PubChem CID 84786637) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-1-methylindazole-3-carboxylate
PubChem CID84786637
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 6-(aminomethyl)-1-methylindazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c2cc(CN)ccc12
InChIInChI=1S/C11H13N3O2/c1-14-9-5-7(6-12)3-4-8(9)10(13-14)11(15)16-2/h3-5H,6,12H2,1-2H3
InChIKeyLKUKZNXUVGHVJR-UHFFFAOYSA-N
XLogP0.82
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-1-methylindazole-3-carboxylic acid
CID 84778324
(3-cyclopropyl-1-methylindazol-6-yl)methanamine
CID 105453741
(1-methyl-3-propoxyindazol-6-yl)methanamine
CID 112757825
methyl 5-(aminomethyl)-1-methylbenzimidazole-2-carboxylate
CID 84786620
methyl 1-methyl-5-pyrrolidin-1-ylindazole-3-carboxylate
CID 168515151
methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate
CID 82089853
6-amino-N,1-dimethylindazole-3-carboxamide
CID 59335057
6-ethyl-1-methylindazol-3-amine
CID 67124935
methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate
CID 66888548
(3-chloro-1-methylindazol-5-yl)methanamine
CID 83446741
methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate
CID 156503325
methyl 5-(2,2-dicyanoethenylamino)-1-methylindazole-3-carboxylate
CID 168544733

Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate (CID 84786637) is methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate is COC(=O)c1nn(C)c2cc(CN)ccc12.
What is the InChIKey of methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate?
The InChIKey is LKUKZNXUVGHVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14-9-5-7(6-12)3-4-8(9)10(13-14)11(15)16-2/h3-5H,6,12H2,1-2H3.
What are the key properties of methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate?
methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate is sourced from PubChem (CID 84786637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).