6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine

C13H16N6O2 — CID 80804552

IUPAC6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NCc2cnc(C)cn2)n1
InChIInChI=1S/C13H16N6O2/c1-3-14-12-5-4-11(19(20)21)13(18-12)17-8-10-7-15-9(2)6-16-10/h4-7H,3,8H2,1-2H3,(H2,14,17,18)
InChIKeyDRZRXPLDUSGWHI-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.13
Rot. Bonds6

About 6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine

6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine (PubChem CID 80804552) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
PubChem CID80804552
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NCc2cnc(C)cn2)n1
InChIInChI=1S/C13H16N6O2/c1-3-14-12-5-4-11(19(20)21)13(18-12)17-8-10-7-15-9(2)6-16-10/h4-7H,3,8H2,1-2H3,(H2,14,17,18)
InChIKeyDRZRXPLDUSGWHI-UHFFFAOYSA-N
XLogP2.13
TPSA105.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.13
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-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
CID 79816009
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
1-N-[(5-methylpyrazin-2-yl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749266
ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
CID 80789885
6-N-ethyl-2-N-[(3-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 80771439
4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-nitroaniline
CID 62845590
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 80842246

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine (CID 80804552) is 6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(NCc2cnc(C)cn2)n1.
What is the InChIKey of 6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine?
The InChIKey is DRZRXPLDUSGWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-3-14-12-5-4-11(19(20)21)13(18-12)17-8-10-7-15-9(2)6-16-10/h4-7H,3,8H2,1-2H3,(H2,14,17,18).
What are the key properties of 6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine?
6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine has a molecular weight of 288.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80804552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).