7-nitro-1H-indazol-5-amine

C7H6N4O2 — CID 74892019

IUPAC7-nitro-1H-indazol-5-amine
SMILESNc1cc([N+](=O)[O-])c2[nH]ncc2c1
InChIInChI=1S/C7H6N4O2/c8-5-1-4-3-9-10-7(4)6(2-5)11(12)13/h1-3H,8H2,(H,9,10)
InChIKeyMQDBTLYANPJVPC-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.05
Rot. Bonds1

About 7-nitro-1H-indazol-5-amine

7-nitro-1H-indazol-5-amine (PubChem CID 74892019) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 7-nitro-1H-indazol-5-amine.

Molecular Properties

Compound Name7-nitro-1H-indazol-5-amine
PubChem CID74892019
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name7-nitro-1H-indazol-5-amine
SMILESNc1cc([N+](=O)[O-])c2[nH]ncc2c1
InChIInChI=1S/C7H6N4O2/c8-5-1-4-3-9-10-7(4)6(2-5)11(12)13/h1-3H,8H2,(H,9,10)
InChIKeyMQDBTLYANPJVPC-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

4-methyl-3,5-dinitroaniline
CID 29574
5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine
CID 164669430
6-nitro-1H-indazole-5-carbonitrile
CID 76846367
5-chloro-4-nitro-1H-pyrazole
CID 18769507
4,5-dinitrobenzene-1,3-diamine
CID 22168448
N-methyl-5-nitro-N-propan-2-yl-1H-indazol-6-amine
CID 118096232
3,4-dichloro-5-nitroaniline
CID 121228417
5-nitro-1H-indazole-6-sulfonic acid
CID 142741949
4,5-dinitro-9H-fluorene-2,7-diamine
CID 87178850
4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine
CID 67450786
6-amino-8-nitronaphthalene-2-sulfonic acid
CID 118985201
2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol
CID 117348385

Frequently Asked Questions

What is the IUPAC name of 7-nitro-1H-indazol-5-amine?
The IUPAC name of 7-nitro-1H-indazol-5-amine (CID 74892019) is 7-nitro-1H-indazol-5-amine.
What is the SMILES notation for 7-nitro-1H-indazol-5-amine?
The canonical SMILES for 7-nitro-1H-indazol-5-amine is Nc1cc([N+](=O)[O-])c2[nH]ncc2c1.
What is the InChIKey of 7-nitro-1H-indazol-5-amine?
The InChIKey is MQDBTLYANPJVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-5-1-4-3-9-10-7(4)6(2-5)11(12)13/h1-3H,8H2,(H,9,10).
What are the key properties of 7-nitro-1H-indazol-5-amine?
7-nitro-1H-indazol-5-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-5-amine is sourced from PubChem (CID 74892019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).