N,N,2-trimethyl-5-nitroindazol-3-amine

C10H12N4O2 — CID 12649206

IUPACN,N,2-trimethyl-5-nitroindazol-3-amine
SMILESCN(C)c1c2cc([N+](=O)[O-])ccc2nn1C
InChIInChI=1S/C10H12N4O2/c1-12(2)10-8-6-7(14(15)16)4-5-9(8)11-13(10)3/h4-6H,1-3H3
InChIKeyQMMMVHBTLIFXDI-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.55
Rot. Bonds2

About N,N,2-trimethyl-5-nitroindazol-3-amine

N,N,2-trimethyl-5-nitroindazol-3-amine (PubChem CID 12649206) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N,N,2-trimethyl-5-nitroindazol-3-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-5-nitroindazol-3-amine
PubChem CID12649206
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN,N,2-trimethyl-5-nitroindazol-3-amine
SMILESCN(C)c1c2cc([N+](=O)[O-])ccc2nn1C
InChIInChI=1S/C10H12N4O2/c1-12(2)10-8-6-7(14(15)16)4-5-9(8)11-13(10)3/h4-6H,1-3H3
InChIKeyQMMMVHBTLIFXDI-UHFFFAOYSA-N
XLogP1.55
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
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

2-(3-methoxy-5-nitroindazol-1-yl)-N,N-dimethylethanamine
CID 46228355
2,4-dichloro-6-nitro-3-propan-2-ylquinoline
CID 86067568
2-chloro-5-nitrobenzotriazole
CID 142674252
9-methoxy-3,6-dinitrocarbazole
CID 155908521
3-(3-methoxy-5-nitroindazol-1-yl)-N,N-dimethylpropan-1-amine
CID 46228354
4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline
CID 124927414
methyl (2R)-2-[2-(diethylamino)-5-nitroindazol-3-yl]-2-hydroxyacetate
CID 139091232
1-methyl-6-nitro-2-(trifluoromethyl)benzimidazole
CID 67283381
3-(2,2-dimethoxyethyl)-6-nitroquinazolin-4-one
CID 66222357
6-nitro-3-pentadecylquinazolin-4-one
CID 86008339
6-nitro-3-(3-oxobutyl)quinazolin-4-one
CID 7568902
(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 11310699

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-nitroindazol-3-amine?
The IUPAC name of N,N,2-trimethyl-5-nitroindazol-3-amine (CID 12649206) is N,N,2-trimethyl-5-nitroindazol-3-amine.
What is the SMILES notation for N,N,2-trimethyl-5-nitroindazol-3-amine?
The canonical SMILES for N,N,2-trimethyl-5-nitroindazol-3-amine is CN(C)c1c2cc([N+](=O)[O-])ccc2nn1C.
What is the InChIKey of N,N,2-trimethyl-5-nitroindazol-3-amine?
The InChIKey is QMMMVHBTLIFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-12(2)10-8-6-7(14(15)16)4-5-9(8)11-13(10)3/h4-6H,1-3H3.
What are the key properties of N,N,2-trimethyl-5-nitroindazol-3-amine?
N,N,2-trimethyl-5-nitroindazol-3-amine has a molecular weight of 220.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-nitroindazol-3-amine is sourced from PubChem (CID 12649206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).