6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine

C9H9N5O2 — CID 79815731

IUPAC6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
SMILESCc1ccn(-c2ccc([N+](=O)[O-])c(N)n2)n1
InChIInChI=1S/C9H9N5O2/c1-6-4-5-13(12-6)8-3-2-7(14(15)16)9(10)11-8/h2-5H,1H3,(H2,10,11)
InChIKeyFIJPDYZKDGJIOL-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.07
Rot. Bonds2

About 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine

6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine (PubChem CID 79815731) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
PubChem CID79815731
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
SMILESCc1ccn(-c2ccc([N+](=O)[O-])c(N)n2)n1
InChIInChI=1S/C9H9N5O2/c1-6-4-5-13(12-6)8-3-2-7(14(15)16)9(10)11-8/h2-5H,1H3,(H2,10,11)
InChIKeyFIJPDYZKDGJIOL-UHFFFAOYSA-N
XLogP1.07
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine 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-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 81136870
6-imidazol-1-yl-3-nitropyridin-2-amine
CID 10512423
4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine
CID 79175720
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 113287000
1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole
CID 103080568
6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine
CID 79828151
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718980
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718979
2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid
CID 114089660
3-methyl-1-(3-methylsulfanyl-4-nitrophenyl)pyrazole
CID 134507873
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine (CID 79815731) is 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine is Cc1ccn(-c2ccc([N+](=O)[O-])c(N)n2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine?
The InChIKey is FIJPDYZKDGJIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-6-4-5-13(12-6)8-3-2-7(14(15)16)9(10)11-8/h2-5H,1H3,(H2,10,11).
What are the key properties of 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine?
6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine has a molecular weight of 219.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 79815731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).