3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine

C12H19N3O — CID 142247308

IUPAC3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine
SMILESCCc1cnc(CC)c(NC2CCOC2)n1
InChIInChI=1S/C12H19N3O/c1-3-9-7-13-11(4-2)12(14-9)15-10-5-6-16-8-10/h7,10H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyBVBZHMRWZPTOKB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.80
Rot. Bonds4

About 3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine

3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine (PubChem CID 142247308) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine
PubChem CID142247308
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine
SMILESCCc1cnc(CC)c(NC2CCOC2)n1
InChIInChI=1S/C12H19N3O/c1-3-9-7-13-11(4-2)12(14-9)15-10-5-6-16-8-10/h7,10H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyBVBZHMRWZPTOKB-UHFFFAOYSA-N
XLogP1.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine?
The IUPAC name of 3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine (CID 142247308) is 3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine is CCc1cnc(CC)c(NC2CCOC2)n1.
What is the InChIKey of 3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine?
The InChIKey is BVBZHMRWZPTOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-7-13-11(4-2)12(14-9)15-10-5-6-16-8-10/h7,10H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine?
3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine is sourced from PubChem (CID 142247308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).