7-nitro-1H-indazol-6-amine

C7H6N4O2 — CID 12612955

IUPAC7-nitro-1H-indazol-6-amine
SMILESNc1ccc2cn[nH]c2c1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O2/c8-5-2-1-4-3-9-10-6(4)7(5)11(12)13/h1-3H,8H2,(H,9,10)
InChIKeyPVKYWSMPNZCJCA-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.05
Rot. Bonds1

About 7-nitro-1H-indazol-6-amine

7-nitro-1H-indazol-6-amine (PubChem CID 12612955) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 7-nitro-1H-indazol-6-amine.

Molecular Properties

Compound Name7-nitro-1H-indazol-6-amine
PubChem CID12612955
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name7-nitro-1H-indazol-6-amine
SMILESNc1ccc2cn[nH]c2c1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O2/c8-5-2-1-4-3-9-10-6(4)7(5)11(12)13/h1-3H,8H2,(H,9,10)
InChIKeyPVKYWSMPNZCJCA-UHFFFAOYSA-N
XLogP1.05
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

7-Nitroindazole
CID 1893
1H-Indazol-6-amine
CID 81423
5-Nitroindazole
CID 21501
6-Nitroindazole
CID 24239
1H-indazol-7-amine
CID 88901
4-Nitroindazole
CID 18057
2,7-Dinitroindazole
CID 330841
1H-Indazole-5,6-diamine
CID 81900
5,7-Dinitro-3-phenyl-1H-indazole
CID 135416134
6-methyl-7-nitro-1H-indazole
CID 1480032
4-({4-nitrobenzylidene}amino)-3-methyl-1H-pyrazole
CID 904093
5,7-Dinitro-1H-indazole
CID 610327

Frequently Asked Questions

What is the IUPAC name of 7-nitro-1H-indazol-6-amine?
The IUPAC name of 7-nitro-1H-indazol-6-amine (CID 12612955) is 7-nitro-1H-indazol-6-amine.
What is the SMILES notation for 7-nitro-1H-indazol-6-amine?
The canonical SMILES for 7-nitro-1H-indazol-6-amine is Nc1ccc2cn[nH]c2c1[N+](=O)[O-].
What is the InChIKey of 7-nitro-1H-indazol-6-amine?
The InChIKey is PVKYWSMPNZCJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-5-2-1-4-3-9-10-6(4)7(5)11(12)13/h1-3H,8H2,(H,9,10).
What are the key properties of 7-nitro-1H-indazol-6-amine?
7-nitro-1H-indazol-6-amine has a molecular weight of 178.15 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1H-indazol-6-amine is sourced from PubChem (CID 12612955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).