3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine

C10H12N6O2 — CID 80809598

IUPAC3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
SMILESNc1ccc([N+](=O)[O-])c(NCCn2cccn2)n1
InChIInChI=1S/C10H12N6O2/c11-9-3-2-8(16(17)18)10(14-9)12-5-7-15-6-1-4-13-15/h1-4,6H,5,7H2,(H3,11,12,14)
InChIKeySTKGENUNFCIVON-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.88
Rot. Bonds5

About 3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine

3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine (PubChem CID 80809598) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
PubChem CID80809598
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
SMILESNc1ccc([N+](=O)[O-])c(NCCn2cccn2)n1
InChIInChI=1S/C10H12N6O2/c11-9-3-2-8(16(17)18)10(14-9)12-5-7-15-6-1-4-13-15/h1-4,6H,5,7H2,(H3,11,12,14)
InChIKeySTKGENUNFCIVON-UHFFFAOYSA-N
XLogP0.88
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 61068526
6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 115714662
3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
2-N-[(2-methylpyrazol-3-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80829463
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106343419
3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790211
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 54951342
4-nitro-N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)aniline
CID 61463010
2-N-(2-butoxyethyl)-3-nitropyridine-2,6-diamine
CID 80819270

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine (CID 80809598) is 3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine is Nc1ccc([N+](=O)[O-])c(NCCn2cccn2)n1.
What is the InChIKey of 3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The InChIKey is STKGENUNFCIVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c11-9-3-2-8(16(17)18)10(14-9)12-5-7-15-6-1-4-13-15/h1-4,6H,5,7H2,(H3,11,12,14).
What are the key properties of 3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine has a molecular weight of 248.25 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80809598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).