4-propan-2-yl-1H-pyrazine

C7H12N2 — CID 58861791

IUPAC4-propan-2-yl-1H-pyrazine
SMILESCC(C)N1C=CNC=C1
InChIInChI=1S/C7H12N2/c1-7(2)9-5-3-8-4-6-9/h3-8H,1-2H3
InChIKeyBRDHESVCZSMULB-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.24
Rot. Bonds1

About 4-propan-2-yl-1H-pyrazine

4-propan-2-yl-1H-pyrazine (PubChem CID 58861791) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-propan-2-yl-1H-pyrazine.

Molecular Properties

Compound Name4-propan-2-yl-1H-pyrazine
PubChem CID58861791
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-propan-2-yl-1H-pyrazine
SMILESCC(C)N1C=CNC=C1
InChIInChI=1S/C7H12N2/c1-7(2)9-5-3-8-4-6-9/h3-8H,1-2H3
InChIKeyBRDHESVCZSMULB-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1H-pyrazine?
The IUPAC name of 4-propan-2-yl-1H-pyrazine (CID 58861791) is 4-propan-2-yl-1H-pyrazine.
What is the SMILES notation for 4-propan-2-yl-1H-pyrazine?
The canonical SMILES for 4-propan-2-yl-1H-pyrazine is CC(C)N1C=CNC=C1.
What is the InChIKey of 4-propan-2-yl-1H-pyrazine?
The InChIKey is BRDHESVCZSMULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2)9-5-3-8-4-6-9/h3-8H,1-2H3.
What are the key properties of 4-propan-2-yl-1H-pyrazine?
4-propan-2-yl-1H-pyrazine has a molecular weight of 124.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1H-pyrazine is sourced from PubChem (CID 58861791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).