2-(1-nitropropan-2-yl)pyrazine

C7H9N3O2 — CID 57220935

IUPAC2-(1-nitropropan-2-yl)pyrazine
SMILESCC(C[N+](=O)[O-])c1cnccn1
InChIInChI=1S/C7H9N3O2/c1-6(5-10(11)12)7-4-8-2-3-9-7/h2-4,6H,5H2,1H3
InChIKeyPNKNWDQASXNMBJ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.86
Rot. Bonds3

About 2-(1-nitropropan-2-yl)pyrazine

2-(1-nitropropan-2-yl)pyrazine (PubChem CID 57220935) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-(1-nitropropan-2-yl)pyrazine.

Molecular Properties

Compound Name2-(1-nitropropan-2-yl)pyrazine
PubChem CID57220935
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-(1-nitropropan-2-yl)pyrazine
SMILESCC(C[N+](=O)[O-])c1cnccn1
InChIInChI=1S/C7H9N3O2/c1-6(5-10(11)12)7-4-8-2-3-9-7/h2-4,6H,5H2,1H3
InChIKeyPNKNWDQASXNMBJ-UHFFFAOYSA-N
XLogP0.86
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.86
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

2-(1-nitropropan-2-yl)pyridine
CID 67238312
4-pyrazin-2-ylpentan-2-amine
CID 64721175
1-pyrazin-2-ylethylphosphane
CID 59073972
2-(1-ethoxyethyl)pyrazine
CID 71406239
2-pyrazin-2-ylpropanamide
CID 21413230
2-(2-bromopentan-3-yl)pyrazine
CID 63203717
3-bromo-4-nitro-N-(1-pyrazin-2-ylethyl)aniline
CID 82865241
2-(2-chloropentan-3-yl)pyrazine
CID 63203167
2-[(2R)-but-3-yn-2-yl]pyrazine
CID 143800515
2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde
CID 87598831
(1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide
CID 97175214
2-(dimethylamino)-2-pyrazin-2-ylacetic acid
CID 82408477

Frequently Asked Questions

What is the IUPAC name of 2-(1-nitropropan-2-yl)pyrazine?
The IUPAC name of 2-(1-nitropropan-2-yl)pyrazine (CID 57220935) is 2-(1-nitropropan-2-yl)pyrazine.
What is the SMILES notation for 2-(1-nitropropan-2-yl)pyrazine?
The canonical SMILES for 2-(1-nitropropan-2-yl)pyrazine is CC(C[N+](=O)[O-])c1cnccn1.
What is the InChIKey of 2-(1-nitropropan-2-yl)pyrazine?
The InChIKey is PNKNWDQASXNMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-6(5-10(11)12)7-4-8-2-3-9-7/h2-4,6H,5H2,1H3.
What are the key properties of 2-(1-nitropropan-2-yl)pyrazine?
2-(1-nitropropan-2-yl)pyrazine has a molecular weight of 167.17 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitropropan-2-yl)pyrazine is sourced from PubChem (CID 57220935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).