1-methyl-6-nitroindazol-3-amine

C8H8N4O2 — CID 12649191

IUPAC1-methyl-6-nitroindazol-3-amine
SMILESCn1nc(N)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C8H8N4O2/c1-11-7-4-5(12(13)14)2-3-6(7)8(9)10-11/h2-4H,1H3,(H2,9,10)
InChIKeyLGMIERNQDUPBMK-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.06
Rot. Bonds1

About 1-methyl-6-nitroindazol-3-amine

1-methyl-6-nitroindazol-3-amine (PubChem CID 12649191) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-methyl-6-nitroindazol-3-amine.

Molecular Properties

Compound Name1-methyl-6-nitroindazol-3-amine
PubChem CID12649191
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-methyl-6-nitroindazol-3-amine
SMILESCn1nc(N)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C8H8N4O2/c1-11-7-4-5(12(13)14)2-3-6(7)8(9)10-11/h2-4H,1H3,(H2,9,10)
InChIKeyLGMIERNQDUPBMK-UHFFFAOYSA-N
XLogP1.06
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-6-nitroindazol-3-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 1-methyl-6-nitroindazol-3-amine?
The IUPAC name of 1-methyl-6-nitroindazol-3-amine (CID 12649191) is 1-methyl-6-nitroindazol-3-amine.
What is the SMILES notation for 1-methyl-6-nitroindazol-3-amine?
The canonical SMILES for 1-methyl-6-nitroindazol-3-amine is Cn1nc(N)c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-methyl-6-nitroindazol-3-amine?
The InChIKey is LGMIERNQDUPBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-11-7-4-5(12(13)14)2-3-6(7)8(9)10-11/h2-4H,1H3,(H2,9,10).
What are the key properties of 1-methyl-6-nitroindazol-3-amine?
1-methyl-6-nitroindazol-3-amine has a molecular weight of 192.18 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-nitroindazol-3-amine is sourced from PubChem (CID 12649191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).