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

C11H14N6O2 — CID 80808342

IUPAC6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCn2cccn2)n1
InChIInChI=1S/C11H14N6O2/c1-12-10-4-3-9(17(18)19)11(15-10)13-6-8-16-7-2-5-14-16/h2-5,7H,6,8H2,1H3,(H2,12,13,15)
InChIKeyAFETVNLOUOCSBS-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.34
Rot. Bonds6

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

6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine (PubChem CID 80808342) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
PubChem CID80808342
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCn2cccn2)n1
InChIInChI=1S/C11H14N6O2/c1-12-10-4-3-9(17(18)19)11(15-10)13-6-8-16-7-2-5-14-16/h2-5,7H,6,8H2,1H3,(H2,12,13,15)
InChIKeyAFETVNLOUOCSBS-UHFFFAOYSA-N
XLogP1.34
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.34
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
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80809598
2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80808353
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
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541
6-N-methyl-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80853815
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine
CID 107818912
6-N-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80816559

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine (CID 80808342) is 6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(NCCn2cccn2)n1.
What is the InChIKey of 6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
The InChIKey is AFETVNLOUOCSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-12-10-4-3-9(17(18)19)11(15-10)13-6-8-16-7-2-5-14-16/h2-5,7H,6,8H2,1H3,(H2,12,13,15).
What are the key properties of 6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine?
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine has a molecular weight of 262.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80808342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).