6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine

C11H14N6O2 — CID 80816559

IUPAC6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCc2cnn(C)c2)n1
InChIInChI=1S/C11H14N6O2/c1-12-10-4-3-9(17(18)19)11(15-10)13-5-8-6-14-16(2)7-8/h3-4,6-7H,5H2,1-2H3,(H2,12,13,15)
InChIKeyLSBGRVUXRNXYSS-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.38
Rot. Bonds5

About 6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine

6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine (PubChem CID 80816559) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
PubChem CID80816559
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCc2cnn(C)c2)n1
InChIInChI=1S/C11H14N6O2/c1-12-10-4-3-9(17(18)19)11(15-10)13-5-8-6-14-16(2)7-8/h3-4,6-7H,5H2,1-2H3,(H2,12,13,15)
InChIKeyLSBGRVUXRNXYSS-UHFFFAOYSA-N
XLogP1.38
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.38
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

2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451
6-N-methyl-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80853815
2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107165493
N-[(1-methylpyrazol-4-yl)methyl]-4-nitro-1,3-benzoxazol-2-amine
CID 79884192
2-N-(2-cyclohexylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80791889
2-N-[(2,4-difluorophenyl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80796839
2-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80842747
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541
4-[(1-methylpyrazol-4-yl)methylamino]-3-nitrobenzaldehyde
CID 83104968
2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80808353

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine (CID 80816559) is 6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(NCc2cnn(C)c2)n1.
What is the InChIKey of 6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine?
The InChIKey is LSBGRVUXRNXYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-12-10-4-3-9(17(18)19)11(15-10)13-5-8-6-14-16(2)7-8/h3-4,6-7H,5H2,1-2H3,(H2,12,13,15).
What are the key properties of 6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine?
6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine has a molecular weight of 262.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80816559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).