5-propan-2-yl-1,2,3,4-tetrahydropyrazine

C7H14N2 — CID 158322514

IUPAC5-propan-2-yl-1,2,3,4-tetrahydropyrazine
SMILESCC(C)C1=CNCCN1
InChIInChI=1S/C7H14N2/c1-6(2)7-5-8-3-4-9-7/h5-6,8-9H,3-4H2,1-2H3
InChIKeyIAFUIGWBDOREOT-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.68
Rot. Bonds1

About 5-propan-2-yl-1,2,3,4-tetrahydropyrazine

5-propan-2-yl-1,2,3,4-tetrahydropyrazine (PubChem CID 158322514) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-propan-2-yl-1,2,3,4-tetrahydropyrazine.

Molecular Properties

Compound Name5-propan-2-yl-1,2,3,4-tetrahydropyrazine
PubChem CID158322514
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name5-propan-2-yl-1,2,3,4-tetrahydropyrazine
SMILESCC(C)C1=CNCCN1
InChIInChI=1S/C7H14N2/c1-6(2)7-5-8-3-4-9-7/h5-6,8-9H,3-4H2,1-2H3
InChIKeyIAFUIGWBDOREOT-UHFFFAOYSA-N
XLogP0.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2,3,4-tetrahydropyrazine?
The IUPAC name of 5-propan-2-yl-1,2,3,4-tetrahydropyrazine (CID 158322514) is 5-propan-2-yl-1,2,3,4-tetrahydropyrazine.
What is the SMILES notation for 5-propan-2-yl-1,2,3,4-tetrahydropyrazine?
The canonical SMILES for 5-propan-2-yl-1,2,3,4-tetrahydropyrazine is CC(C)C1=CNCCN1.
What is the InChIKey of 5-propan-2-yl-1,2,3,4-tetrahydropyrazine?
The InChIKey is IAFUIGWBDOREOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7-5-8-3-4-9-7/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,2,3,4-tetrahydropyrazine?
5-propan-2-yl-1,2,3,4-tetrahydropyrazine has a molecular weight of 126.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2,3,4-tetrahydropyrazine is sourced from PubChem (CID 158322514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).