5-nitro-3-phenylindazol-1-amine

C13H10N4O2 — CID 134910169

IUPAC5-nitro-3-phenylindazol-1-amine
SMILESNn1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H10N4O2/c14-16-12-7-6-10(17(18)19)8-11(12)13(15-16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyNGCBUIJOJHOJRK-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.33
Rot. Bonds2

About 5-nitro-3-phenylindazol-1-amine

5-nitro-3-phenylindazol-1-amine (PubChem CID 134910169) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-nitro-3-phenylindazol-1-amine.

Molecular Properties

Compound Name5-nitro-3-phenylindazol-1-amine
PubChem CID134910169
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name5-nitro-3-phenylindazol-1-amine
SMILESNn1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H10N4O2/c14-16-12-7-6-10(17(18)19)8-11(12)13(15-16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyNGCBUIJOJHOJRK-UHFFFAOYSA-N
XLogP2.33
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.33
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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Related Compounds

1-(cyclopropylmethyl)-6-nitro-4-phenylquinazoline-2-thione
CID 13189093
1-[(1-methylpyrrol-2-yl)methyl]-6-nitro-4-phenylquinazolin-2-one
CID 21327516
5-nitro-3-phenyl-1,2-benzothiazole
CID 12614594
5-nitro-3-phenyl-1,2-benzoxazole
CID 762566
methane;methanol;5-nitro-3-pyridin-4-yl-1-tritylindazole;3-pyridin-4-yl-1-tritylindazol-5-amine
CID 158579058
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
3,5-dinitro-1-phenylindazole
CID 13221051
4-bromo-6-nitro-3-phenylcinnoline
CID 15194096
(1-methyl-5-nitro-3-phenylindol-2-yl)methanamine;hydrochloride
CID 13071415
4-iodo-1-methyl-6-nitro-3-phenylisoquinoline
CID 138974698
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
9-benzyl-3,6-dinitrocarbazole
CID 5059102

Frequently Asked Questions

What is the IUPAC name of 5-nitro-3-phenylindazol-1-amine?
The IUPAC name of 5-nitro-3-phenylindazol-1-amine (CID 134910169) is 5-nitro-3-phenylindazol-1-amine.
What is the SMILES notation for 5-nitro-3-phenylindazol-1-amine?
The canonical SMILES for 5-nitro-3-phenylindazol-1-amine is Nn1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 5-nitro-3-phenylindazol-1-amine?
The InChIKey is NGCBUIJOJHOJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-16-12-7-6-10(17(18)19)8-11(12)13(15-16)9-4-2-1-3-5-9/h1-8H,14H2.
What are the key properties of 5-nitro-3-phenylindazol-1-amine?
5-nitro-3-phenylindazol-1-amine has a molecular weight of 254.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-phenylindazol-1-amine is sourced from PubChem (CID 134910169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).