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

C11H12N6O2 — CID 79816009

IUPAC6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
SMILESCc1cnc(CNc2ccc([N+](=O)[O-])c(N)n2)cn1
InChIInChI=1S/C11H12N6O2/c1-7-4-14-8(5-13-7)6-15-10-3-2-9(17(18)19)11(12)16-10/h2-5H,6H2,1H3,(H3,12,15,16)
InChIKeyAJXWCPHECAXAAR-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.28
Rot. Bonds4

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

6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine (PubChem CID 79816009) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
PubChem CID79816009
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
SMILESCc1cnc(CNc2ccc([N+](=O)[O-])c(N)n2)cn1
InChIInChI=1S/C11H12N6O2/c1-7-4-14-8(5-13-7)6-15-10-3-2-9(17(18)19)11(12)16-10/h2-5H,6H2,1H3,(H3,12,15,16)
InChIKeyAJXWCPHECAXAAR-UHFFFAOYSA-N
XLogP1.28
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.28
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-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80804552
6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine
CID 79827777
1-N-[(5-methylpyrazin-2-yl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749266
6-N-[(4-aminophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 116650455
4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-nitroaniline
CID 62845590
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
6-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 79815937
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenol
CID 10083938
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
1-N-[(5-methylpyrazin-2-yl)methyl]-4-nitrobenzene-1,2-diamine
CID 55122037
2-[(5-methylpyrazin-2-yl)methylamino]-3-nitrobenzoic acid
CID 115932384
6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
CID 79825900

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine (CID 79816009) is 6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine is Cc1cnc(CNc2ccc([N+](=O)[O-])c(N)n2)cn1.
What is the InChIKey of 6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine?
The InChIKey is AJXWCPHECAXAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-7-4-14-8(5-13-7)6-15-10-3-2-9(17(18)19)11(12)16-10/h2-5H,6H2,1H3,(H3,12,15,16).
What are the key properties of 6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine?
6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine has a molecular weight of 260.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 79816009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).