2-amino-5-indazol-1-yl-2-methylpentan-1-ol

C13H19N3O — CID 64811283

IUPAC2-amino-5-indazol-1-yl-2-methylpentan-1-ol
SMILESCC(N)(CO)CCCn1ncc2ccccc21
InChIInChI=1S/C13H19N3O/c1-13(14,10-17)7-4-8-16-12-6-3-2-5-11(12)9-15-16/h2-3,5-6,9,17H,4,7-8,10,14H2,1H3
InChIKeyQLJHETMNEYQHBQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.53
Rot. Bonds5

About 2-amino-5-indazol-1-yl-2-methylpentan-1-ol

2-amino-5-indazol-1-yl-2-methylpentan-1-ol (PubChem CID 64811283) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-5-indazol-1-yl-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-indazol-1-yl-2-methylpentan-1-ol
PubChem CID64811283
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-5-indazol-1-yl-2-methylpentan-1-ol
SMILESCC(N)(CO)CCCn1ncc2ccccc21
InChIInChI=1S/C13H19N3O/c1-13(14,10-17)7-4-8-16-12-6-3-2-5-11(12)9-15-16/h2-3,5-6,9,17H,4,7-8,10,14H2,1H3
InChIKeyQLJHETMNEYQHBQ-UHFFFAOYSA-N
XLogP1.53
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-indazol-1-yl-2-methylpentan-1-ol 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 2-amino-5-indazol-1-yl-2-methylpentan-1-ol?
The IUPAC name of 2-amino-5-indazol-1-yl-2-methylpentan-1-ol (CID 64811283) is 2-amino-5-indazol-1-yl-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-5-indazol-1-yl-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-5-indazol-1-yl-2-methylpentan-1-ol is CC(N)(CO)CCCn1ncc2ccccc21.
What is the InChIKey of 2-amino-5-indazol-1-yl-2-methylpentan-1-ol?
The InChIKey is QLJHETMNEYQHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(14,10-17)7-4-8-16-12-6-3-2-5-11(12)9-15-16/h2-3,5-6,9,17H,4,7-8,10,14H2,1H3.
What are the key properties of 2-amino-5-indazol-1-yl-2-methylpentan-1-ol?
2-amino-5-indazol-1-yl-2-methylpentan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-indazol-1-yl-2-methylpentan-1-ol is sourced from PubChem (CID 64811283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).