[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine

C14H19N3O — CID 71272763

IUPAC[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
SMILESCc1nn(C2CCCCO2)c2cccc(CN)c12
InChIInChI=1S/C14H19N3O/c1-10-14-11(9-15)5-4-6-12(14)17(16-10)13-7-2-3-8-18-13/h4-6,13H,2-3,7-9,15H2,1H3
InChIKeyLPTDEPWJIHVGDK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.50
Rot. Bonds2

About [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine

[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine (PubChem CID 71272763) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
PubChem CID71272763
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
SMILESCc1nn(C2CCCCO2)c2cccc(CN)c12
InChIInChI=1S/C14H19N3O/c1-10-14-11(9-15)5-4-6-12(14)17(16-10)13-7-2-3-8-18-13/h4-6,13H,2-3,7-9,15H2,1H3
InChIKeyLPTDEPWJIHVGDK-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine 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 [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine?
The IUPAC name of [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine (CID 71272763) is [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine?
The canonical SMILES for [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine is Cc1nn(C2CCCCO2)c2cccc(CN)c12.
What is the InChIKey of [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine?
The InChIKey is LPTDEPWJIHVGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-14-11(9-15)5-4-6-12(14)17(16-10)13-7-2-3-8-18-13/h4-6,13H,2-3,7-9,15H2,1H3.
What are the key properties of [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine?
[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine is sourced from PubChem (CID 71272763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).