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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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).