1-methyl-6-nitroindazol-7-amine

C8H8N4O2 — CID 76846031

IUPAC1-methyl-6-nitroindazol-7-amine
SMILESCn1ncc2ccc([N+](=O)[O-])c(N)c21
InChIInChI=1S/C8H8N4O2/c1-11-8-5(4-10-11)2-3-6(7(8)9)12(13)14/h2-4H,9H2,1H3
InChIKeyHLMSJQBPLVSTIR-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.06
Rot. Bonds1

About 1-methyl-6-nitroindazol-7-amine

1-methyl-6-nitroindazol-7-amine (PubChem CID 76846031) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-methyl-6-nitroindazol-7-amine.

Molecular Properties

Compound Name1-methyl-6-nitroindazol-7-amine
PubChem CID76846031
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-methyl-6-nitroindazol-7-amine
SMILESCn1ncc2ccc([N+](=O)[O-])c(N)c21
InChIInChI=1S/C8H8N4O2/c1-11-8-5(4-10-11)2-3-6(7(8)9)12(13)14/h2-4H,9H2,1H3
InChIKeyHLMSJQBPLVSTIR-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-nitroindazol-7-amine?
The IUPAC name of 1-methyl-6-nitroindazol-7-amine (CID 76846031) is 1-methyl-6-nitroindazol-7-amine.
What is the SMILES notation for 1-methyl-6-nitroindazol-7-amine?
The canonical SMILES for 1-methyl-6-nitroindazol-7-amine is Cn1ncc2ccc([N+](=O)[O-])c(N)c21.
What is the InChIKey of 1-methyl-6-nitroindazol-7-amine?
The InChIKey is HLMSJQBPLVSTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-11-8-5(4-10-11)2-3-6(7(8)9)12(13)14/h2-4H,9H2,1H3.
What are the key properties of 1-methyl-6-nitroindazol-7-amine?
1-methyl-6-nitroindazol-7-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-7-amine is sourced from PubChem (CID 76846031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).