1,2-dimethyl-4-nitroindazol-2-ium

C9H10N3O2+ — CID 134938401

IUPAC1,2-dimethyl-4-nitroindazol-2-ium
SMILESCn1c2cccc([N+](=O)[O-])c2c[n+]1C
InChIInChI=1S/C9H10N3O2/c1-10-6-7-8(11(10)2)4-3-5-9(7)12(13)14/h3-6H,1-2H3/q+1
InChIKeyJXRVLZSDPPQDRA-UHFFFAOYSA-N
MW192.20 g/mol
LogP0.91
Rot. Bonds1

About 1,2-dimethyl-4-nitroindazol-2-ium

1,2-dimethyl-4-nitroindazol-2-ium (PubChem CID 134938401) has the molecular formula C9H10N3O2+ and a molecular weight of 192.20 g/mol. Its IUPAC name is 1,2-dimethyl-4-nitroindazol-2-ium.

Molecular Properties

Compound Name1,2-dimethyl-4-nitroindazol-2-ium
PubChem CID134938401
Molecular FormulaC9H10N3O2+
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name1,2-dimethyl-4-nitroindazol-2-ium
SMILESCn1c2cccc([N+](=O)[O-])c2c[n+]1C
InChIInChI=1S/C9H10N3O2/c1-10-6-7-8(11(10)2)4-3-5-9(7)12(13)14/h3-6H,1-2H3/q+1
InChIKeyJXRVLZSDPPQDRA-UHFFFAOYSA-N
XLogP0.91
TPSA51.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-4-nitroindole
CID 143310904
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CID 75446448
1-(4-methylpentyl)-4-nitroindole
CID 116623453
1,4-dimethyl-5-nitroquinoxaline-2,3-dione
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12-nitro-1,3,6-triaza-9-azonia-8-azanidatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,9,11(16),12,14-heptaene
CID 140885595
N,1-dimethyl-4-nitroindazol-3-amine
CID 12649187
4-nitro-1-[(3-propylimidazol-4-yl)methyl]indole
CID 116623371
3-methyl-1-(4-nitroindol-1-yl)butan-2-one
CID 79396035
4-nitro-1-pentylbenzotriazole
CID 70618043
formonitrile;1-nitronaphthalene
CID 174387830
3-methoxy-1-methyl-5-nitroquinolin-1-ium
CID 59216595

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-nitroindazol-2-ium?
The IUPAC name of 1,2-dimethyl-4-nitroindazol-2-ium (CID 134938401) is 1,2-dimethyl-4-nitroindazol-2-ium.
What is the SMILES notation for 1,2-dimethyl-4-nitroindazol-2-ium?
The canonical SMILES for 1,2-dimethyl-4-nitroindazol-2-ium is Cn1c2cccc([N+](=O)[O-])c2c[n+]1C.
What is the InChIKey of 1,2-dimethyl-4-nitroindazol-2-ium?
The InChIKey is JXRVLZSDPPQDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3O2/c1-10-6-7-8(11(10)2)4-3-5-9(7)12(13)14/h3-6H,1-2H3/q+1.
What are the key properties of 1,2-dimethyl-4-nitroindazol-2-ium?
1,2-dimethyl-4-nitroindazol-2-ium has a molecular weight of 192.20 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-nitroindazol-2-ium is sourced from PubChem (CID 134938401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).