2-methyl-5-nitroindazol-3-amine

C8H8N4O2 — CID 12540440

IUPAC2-methyl-5-nitroindazol-3-amine
SMILESCn1nc2ccc([N+](=O)[O-])cc2c1N
InChIInChI=1S/C8H8N4O2/c1-11-8(9)6-4-5(12(13)14)2-3-7(6)10-11/h2-4H,9H2,1H3
InChIKeyQTZRMRRUIDKHLC-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.06
Rot. Bonds1

About 2-methyl-5-nitroindazol-3-amine

2-methyl-5-nitroindazol-3-amine (PubChem CID 12540440) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-methyl-5-nitroindazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-nitroindazol-3-amine
PubChem CID12540440
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-methyl-5-nitroindazol-3-amine
SMILESCn1nc2ccc([N+](=O)[O-])cc2c1N
InChIInChI=1S/C8H8N4O2/c1-11-8(9)6-4-5(12(13)14)2-3-7(6)10-11/h2-4H,9H2,1H3
InChIKeyQTZRMRRUIDKHLC-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitroindazol-3-amine?
The IUPAC name of 2-methyl-5-nitroindazol-3-amine (CID 12540440) is 2-methyl-5-nitroindazol-3-amine.
What is the SMILES notation for 2-methyl-5-nitroindazol-3-amine?
The canonical SMILES for 2-methyl-5-nitroindazol-3-amine is Cn1nc2ccc([N+](=O)[O-])cc2c1N.
What is the InChIKey of 2-methyl-5-nitroindazol-3-amine?
The InChIKey is QTZRMRRUIDKHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-11-8(9)6-4-5(12(13)14)2-3-7(6)10-11/h2-4H,9H2,1H3.
What are the key properties of 2-methyl-5-nitroindazol-3-amine?
2-methyl-5-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 2-methyl-5-nitroindazol-3-amine is sourced from PubChem (CID 12540440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).