3-methyl-7-nitro-N-phenylindazol-2-amine

C14H12N4O2 — CID 165349809

IUPAC3-methyl-7-nitro-N-phenylindazol-2-amine
SMILESCc1c2cccc([N+](=O)[O-])c2nn1Nc1ccccc1
InChIInChI=1S/C14H12N4O2/c1-10-12-8-5-9-13(18(19)20)14(12)16-17(10)15-11-6-3-2-4-7-11/h2-9,15H,1H3
InChIKeyVNBOTQWRIYRBRQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.13
Rot. Bonds3

About 3-methyl-7-nitro-N-phenylindazol-2-amine

3-methyl-7-nitro-N-phenylindazol-2-amine (PubChem CID 165349809) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-methyl-7-nitro-N-phenylindazol-2-amine.

Molecular Properties

Compound Name3-methyl-7-nitro-N-phenylindazol-2-amine
PubChem CID165349809
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-methyl-7-nitro-N-phenylindazol-2-amine
SMILESCc1c2cccc([N+](=O)[O-])c2nn1Nc1ccccc1
InChIInChI=1S/C14H12N4O2/c1-10-12-8-5-9-13(18(19)20)14(12)16-17(10)15-11-6-3-2-4-7-11/h2-9,15H,1H3
InChIKeyVNBOTQWRIYRBRQ-UHFFFAOYSA-N
XLogP3.13
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.13
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

3-bromo-2-methyl-7-nitroindazole
CID 12558578
2,4-dimethyl-8-nitroquinoline
CID 608736
ethane;3-methyl-7-nitro-2H-indazole
CID 143766965
1-nitronaphthalene;hydrate
CID 174470741
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
CID 536040
2,4-dimethyl-8-(2-nitrophenyl)quinoline
CID 10891176
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647
4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine
CID 71375707
1-(2-methyl-8-nitroquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064463
methyl 5-methyl-2-(2-nitrophenyl)triazole-4-carboxylate
CID 155933269
5-chloro-4-methyl-2-nitro-N-phenylaniline
CID 67032404

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-nitro-N-phenylindazol-2-amine?
The IUPAC name of 3-methyl-7-nitro-N-phenylindazol-2-amine (CID 165349809) is 3-methyl-7-nitro-N-phenylindazol-2-amine.
What is the SMILES notation for 3-methyl-7-nitro-N-phenylindazol-2-amine?
The canonical SMILES for 3-methyl-7-nitro-N-phenylindazol-2-amine is Cc1c2cccc([N+](=O)[O-])c2nn1Nc1ccccc1.
What is the InChIKey of 3-methyl-7-nitro-N-phenylindazol-2-amine?
The InChIKey is VNBOTQWRIYRBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-10-12-8-5-9-13(18(19)20)14(12)16-17(10)15-11-6-3-2-4-7-11/h2-9,15H,1H3.
What are the key properties of 3-methyl-7-nitro-N-phenylindazol-2-amine?
3-methyl-7-nitro-N-phenylindazol-2-amine has a molecular weight of 268.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-nitro-N-phenylindazol-2-amine is sourced from PubChem (CID 165349809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).