6-nitro-2-N-propan-2-ylpyridine-2,5-diamine

C8H12N4O2 — CID 126985525

IUPAC6-nitro-2-N-propan-2-ylpyridine-2,5-diamine
SMILESCC(C)Nc1ccc(N)c([N+](=O)[O-])n1
InChIInChI=1S/C8H12N4O2/c1-5(2)10-7-4-3-6(9)8(11-7)12(13)14/h3-5H,9H2,1-2H3,(H,10,11)
InChIKeyRCAYFOKWXRXFAD-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.39
Rot. Bonds3

About 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine

6-nitro-2-N-propan-2-ylpyridine-2,5-diamine (PubChem CID 126985525) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine.

Molecular Properties

Compound Name6-nitro-2-N-propan-2-ylpyridine-2,5-diamine
PubChem CID126985525
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name6-nitro-2-N-propan-2-ylpyridine-2,5-diamine
SMILESCC(C)Nc1ccc(N)c([N+](=O)[O-])n1
InChIInChI=1S/C8H12N4O2/c1-5(2)10-7-4-3-6(9)8(11-7)12(13)14/h3-5H,9H2,1-2H3,(H,10,11)
InChIKeyRCAYFOKWXRXFAD-UHFFFAOYSA-N
XLogP1.39
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
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'}

Analyze 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine
CID 121441410
6-N-(1-cyclohexylethyl)-3-nitropyridine-2,6-diamine
CID 79816301
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
3,5-dinitro-N-propan-2-ylpyridin-2-amine
CID 162519856
2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114176414
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
6-N-heptan-2-yl-3-nitropyridine-2,6-diamine
CID 79825693
(5-nitro-6-propan-2-yloxy-2-pyridinyl)hydrazine
CID 80911273
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methylpentanoate
CID 79826081

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine?
The IUPAC name of 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine (CID 126985525) is 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine.
What is the SMILES notation for 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine?
The canonical SMILES for 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine is CC(C)Nc1ccc(N)c([N+](=O)[O-])n1.
What is the InChIKey of 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine?
The InChIKey is RCAYFOKWXRXFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(2)10-7-4-3-6(9)8(11-7)12(13)14/h3-5H,9H2,1-2H3,(H,10,11).
What are the key properties of 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine?
6-nitro-2-N-propan-2-ylpyridine-2,5-diamine has a molecular weight of 196.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-N-propan-2-ylpyridine-2,5-diamine is sourced from PubChem (CID 126985525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).