2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine

C10H10N4O — CID 122534931

IUPAC2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine
SMILESCn1cc2ccc3c(c2n1)CON=C3N
InChIInChI=1S/C10H10N4O/c1-14-4-6-2-3-7-8(9(6)12-14)5-15-13-10(7)11/h2-4H,5H2,1H3,(H2,11,13)
InChIKeyVMBFOEYBFPYSBG-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.72
Rot. Bonds

About 2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine

2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine (PubChem CID 122534931) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine.

Molecular Properties

Compound Name2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine
PubChem CID122534931
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine
SMILESCn1cc2ccc3c(c2n1)CON=C3N
InChIInChI=1S/C10H10N4O/c1-14-4-6-2-3-7-8(9(6)12-14)5-15-13-10(7)11/h2-4H,5H2,1H3,(H2,11,13)
InChIKeyVMBFOEYBFPYSBG-UHFFFAOYSA-N
XLogP0.72
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine 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-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine?
The IUPAC name of 2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine (CID 122534931) is 2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine.
What is the SMILES notation for 2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine?
The canonical SMILES for 2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine is Cn1cc2ccc3c(c2n1)CON=C3N.
What is the InChIKey of 2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine?
The InChIKey is VMBFOEYBFPYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-14-4-6-2-3-7-8(9(6)12-14)5-15-13-10(7)11/h2-4H,5H2,1H3,(H2,11,13).
What are the key properties of 2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine?
2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine has a molecular weight of 202.22 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9H-pyrazolo[4,3-h][2,3]benzoxazin-6-amine is sourced from PubChem (CID 122534931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).