5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine

C12H12N4O3 — CID 80664421

IUPAC5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine
SMILESCc1cc(C)c(Oc2cnc(N)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c1-7-3-8(2)12(9(4-7)16(17)18)19-11-6-14-10(13)5-15-11/h3-6H,1-2H3,(H2,13,14)
InChIKeyOVOGNAZAVMPEPJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.38
Rot. Bonds3

About 5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine

5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine (PubChem CID 80664421) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine
PubChem CID80664421
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine
SMILESCc1cc(C)c(Oc2cnc(N)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c1-7-3-8(2)12(9(4-7)16(17)18)19-11-6-14-10(13)5-15-11/h3-6H,1-2H3,(H2,13,14)
InChIKeyOVOGNAZAVMPEPJ-UHFFFAOYSA-N
XLogP2.38
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine?
The IUPAC name of 5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine (CID 80664421) is 5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine?
The canonical SMILES for 5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine is Cc1cc(C)c(Oc2cnc(N)cn2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine?
The InChIKey is OVOGNAZAVMPEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-3-8(2)12(9(4-7)16(17)18)19-11-6-14-10(13)5-15-11/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine?
5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine has a molecular weight of 260.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine is sourced from PubChem (CID 80664421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).