2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine

C15H17N3O2 — CID 130328210

IUPAC2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine
SMILESCC(C)(C)Cc1nccnc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)10-13-14(17-9-8-16-13)11-4-6-12(7-5-11)18(19)20/h4-9H,10H2,1-3H3
InChIKeyVJUAZQAVCRCCCJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.64
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine

2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine (PubChem CID 130328210) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine
PubChem CID130328210
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine
SMILESCC(C)(C)Cc1nccnc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)10-13-14(17-9-8-16-13)11-4-6-12(7-5-11)18(19)20/h4-9H,10H2,1-3H3
InChIKeyVJUAZQAVCRCCCJ-UHFFFAOYSA-N
XLogP3.64
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine
CID 112559321
5-(2,2-dimethylpropyl)-2-(4-nitrophenyl)-1,3-oxazole
CID 172704457
[3-(4-nitrophenyl)pyrazin-2-yl]hydrazine
CID 112559568
2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126530724
2-(2,2-dimethylpropyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 86702015
2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126561368
4-[3-(4-nitrophenyl)pyrazin-2-yl]naphthalen-1-amine
CID 69408395
2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine
CID 126529003
4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine
CID 139599922
1-nitro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
CID 139245825
2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine
CID 175164450
3-methyl-4-(4-nitrophenyl)-1,2,5-oxadiazole
CID 13144101

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine (CID 130328210) is 2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine is CC(C)(C)Cc1nccnc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine?
The InChIKey is VJUAZQAVCRCCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2,3)10-13-14(17-9-8-16-13)11-4-6-12(7-5-11)18(19)20/h4-9H,10H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine?
2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine has a molecular weight of 271.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine is sourced from PubChem (CID 130328210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).