N,1-dimethyl-4-nitroindazol-3-amine

C9H10N4O2 — CID 12649187

IUPACN,1-dimethyl-4-nitroindazol-3-amine
SMILESCNc1nn(C)c2cccc([N+](=O)[O-])c12
InChIInChI=1S/C9H10N4O2/c1-10-9-8-6(12(2)11-9)4-3-5-7(8)13(14)15/h3-5H,1-2H3,(H,10,11)
InChIKeySGIGUAARVCLNJV-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.52
Rot. Bonds2

About N,1-dimethyl-4-nitroindazol-3-amine

N,1-dimethyl-4-nitroindazol-3-amine (PubChem CID 12649187) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N,1-dimethyl-4-nitroindazol-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-4-nitroindazol-3-amine
PubChem CID12649187
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC NameN,1-dimethyl-4-nitroindazol-3-amine
SMILESCNc1nn(C)c2cccc([N+](=O)[O-])c12
InChIInChI=1S/C9H10N4O2/c1-10-9-8-6(12(2)11-9)4-3-5-7(8)13(14)15/h3-5H,1-2H3,(H,10,11)
InChIKeySGIGUAARVCLNJV-UHFFFAOYSA-N
XLogP1.52
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.52
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

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CID 12620251
2-chloro-N-methyl-5-nitroquinazolin-4-amine
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CID 556349
1,5,9-trinitrotriphenylene
CID 86227277
4-bromo-3-iodo-1-methyl-5-nitroindazole
CID 139413975
1,2-dimethyl-4-nitroindazol-2-ium
CID 134938401
N-nitronitramide;1,2,3-trinitrobenzene
CID 175346850
3-bromo-2-methyl-7-nitroindazole
CID 12558578
carbamic acid;N-methyl-2-nitroaniline
CID 175546963
ethane;1-methyl-4-nitroindole
CID 143310904
1,4-dimethyl-5-nitroquinoxaline-2,3-dione
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N-methyl-2-nitro-6-[(4-nitroimidazol-1-yl)methyl]aniline
CID 107351765

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-nitroindazol-3-amine?
The IUPAC name of N,1-dimethyl-4-nitroindazol-3-amine (CID 12649187) is N,1-dimethyl-4-nitroindazol-3-amine.
What is the SMILES notation for N,1-dimethyl-4-nitroindazol-3-amine?
The canonical SMILES for N,1-dimethyl-4-nitroindazol-3-amine is CNc1nn(C)c2cccc([N+](=O)[O-])c12.
What is the InChIKey of N,1-dimethyl-4-nitroindazol-3-amine?
The InChIKey is SGIGUAARVCLNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-10-9-8-6(12(2)11-9)4-3-5-7(8)13(14)15/h3-5H,1-2H3,(H,10,11).
What are the key properties of N,1-dimethyl-4-nitroindazol-3-amine?
N,1-dimethyl-4-nitroindazol-3-amine has a molecular weight of 206.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-nitroindazol-3-amine is sourced from PubChem (CID 12649187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).