N,N,1-trimethyl-7-nitroindazol-6-amine

C10H12N4O2 — CID 170965039

IUPACN,N,1-trimethyl-7-nitroindazol-6-amine
SMILESCN(C)c1ccc2cnn(C)c2c1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O2/c1-12(2)8-5-4-7-6-11-13(3)9(7)10(8)14(15)16/h4-6H,1-3H3
InChIKeyQTPCYVXVEXWQEH-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.55
Rot. Bonds2

About N,N,1-trimethyl-7-nitroindazol-6-amine

N,N,1-trimethyl-7-nitroindazol-6-amine (PubChem CID 170965039) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N,N,1-trimethyl-7-nitroindazol-6-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-7-nitroindazol-6-amine
PubChem CID170965039
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN,N,1-trimethyl-7-nitroindazol-6-amine
SMILESCN(C)c1ccc2cnn(C)c2c1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O2/c1-12(2)8-5-4-7-6-11-13(3)9(7)10(8)14(15)16/h4-6H,1-3H3
InChIKeyQTPCYVXVEXWQEH-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

1,6-dimethyl-7-nitroindazole
CID 170964555
6-ethenyl-1-methyl-7-nitroindazole
CID 137443537
1-methyl-6-nitroindazol-7-amine
CID 76846031
6-[bromo(difluoro)methoxy]-1-methyl-7-nitroindazole
CID 170969318
N,N-dimethyl-1-nitronaphthalen-2-amine
CID 154584370
5-(bromomethyl)-1-methyl-7-nitroindazole
CID 177331285
4-chloro-1-methyl-7-nitroindazole
CID 134096067
6-fluoro-1,7-dimethylindazole
CID 83381543
7-chloro-1-methylindazole-6-carbaldehyde
CID 117109713
N,N-dimethyl-3-nitropyridin-4-amine
CID 3760629
N,N,1-trimethyl-4-(2-nitroanilino)pyrazole-5-carboxamide
CID 20550014
7-iodo-1-methyl-6-propan-2-ylindazole
CID 118097493

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-7-nitroindazol-6-amine?
The IUPAC name of N,N,1-trimethyl-7-nitroindazol-6-amine (CID 170965039) is N,N,1-trimethyl-7-nitroindazol-6-amine.
What is the SMILES notation for N,N,1-trimethyl-7-nitroindazol-6-amine?
The canonical SMILES for N,N,1-trimethyl-7-nitroindazol-6-amine is CN(C)c1ccc2cnn(C)c2c1[N+](=O)[O-].
What is the InChIKey of N,N,1-trimethyl-7-nitroindazol-6-amine?
The InChIKey is QTPCYVXVEXWQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-12(2)8-5-4-7-6-11-13(3)9(7)10(8)14(15)16/h4-6H,1-3H3.
What are the key properties of N,N,1-trimethyl-7-nitroindazol-6-amine?
N,N,1-trimethyl-7-nitroindazol-6-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,1-trimethyl-7-nitroindazol-6-amine is sourced from PubChem (CID 170965039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).