(5-methoxy-3-methyl-2H-indazol-4-yl)methanamine

C10H13N3O — CID 117109608

IUPAC(5-methoxy-3-methyl-2H-indazol-4-yl)methanamine
SMILESCOc1ccc2n[nH]c(C)c2c1CN
InChIInChI=1S/C10H13N3O/c1-6-10-7(5-11)9(14-2)4-3-8(10)13-12-6/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyDLUMVTWNPSTSKH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.34
Rot. Bonds2

About (5-methoxy-3-methyl-2H-indazol-4-yl)methanamine

(5-methoxy-3-methyl-2H-indazol-4-yl)methanamine (PubChem CID 117109608) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (5-methoxy-3-methyl-2H-indazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-3-methyl-2H-indazol-4-yl)methanamine
PubChem CID117109608
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(5-methoxy-3-methyl-2H-indazol-4-yl)methanamine
SMILESCOc1ccc2n[nH]c(C)c2c1CN
InChIInChI=1S/C10H13N3O/c1-6-10-7(5-11)9(14-2)4-3-8(10)13-12-6/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyDLUMVTWNPSTSKH-UHFFFAOYSA-N
XLogP1.34
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
5-bromo-4-methoxy-3-methyl-2H-indazole
CID 84702333
(5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine
CID 117110094
[3-[(2-methoxyphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54850918
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
(2-chloro-6-methoxy-3-methylphenyl)methanamine
CID 84769899
6-bromo-4-methoxy-3-methyl-2H-indazole
CID 126681019
2-(6-methoxy-2-methylquinolin-5-yl)ethanamine
CID 82575506
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine
CID 117365219
2-(4-methoxy-3-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986824

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-2H-indazol-4-yl)methanamine?
The IUPAC name of (5-methoxy-3-methyl-2H-indazol-4-yl)methanamine (CID 117109608) is (5-methoxy-3-methyl-2H-indazol-4-yl)methanamine.
What is the SMILES notation for (5-methoxy-3-methyl-2H-indazol-4-yl)methanamine?
The canonical SMILES for (5-methoxy-3-methyl-2H-indazol-4-yl)methanamine is COc1ccc2n[nH]c(C)c2c1CN.
What is the InChIKey of (5-methoxy-3-methyl-2H-indazol-4-yl)methanamine?
The InChIKey is DLUMVTWNPSTSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-10-7(5-11)9(14-2)4-3-8(10)13-12-6/h3-4H,5,11H2,1-2H3,(H,12,13).
What are the key properties of (5-methoxy-3-methyl-2H-indazol-4-yl)methanamine?
(5-methoxy-3-methyl-2H-indazol-4-yl)methanamine has a molecular weight of 191.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methyl-2H-indazol-4-yl)methanamine is sourced from PubChem (CID 117109608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).