2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine

C20H28N6 — CID 160532833

IUPAC2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine
SMILESCC(C)c1cnccn1.CCCc1cnccn1.CCc1cnccn1
InChIInChI=1S/2C7H10N2.C6H8N2/c1-6(2)7-5-8-3-4-9-7;1-2-3-7-6-8-4-5-9-7;1-2-6-5-7-3-4-8-6/h3-6H,1-2H3;4-6H,2-3H2,1H3;3-5H,2H2,1H3
InChIKeyQVTURGNCGYIZAE-UHFFFAOYSA-N
MW352.49 g/mol
LogP4.07
Rot. Bonds4

About 2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine

2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine (PubChem CID 160532833) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine.

Molecular Properties

Compound Name2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine
PubChem CID160532833
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine
SMILESCC(C)c1cnccn1.CCCc1cnccn1.CCc1cnccn1
InChIInChI=1S/2C7H10N2.C6H8N2/c1-6(2)7-5-8-3-4-9-7;1-2-3-7-6-8-4-5-9-7;1-2-6-5-7-3-4-8-6/h3-6H,1-2H3;4-6H,2-3H2,1H3;3-5H,2H2,1H3
InChIKeyQVTURGNCGYIZAE-UHFFFAOYSA-N
XLogP4.07
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethoxyethyl)pyrazine
CID 71406239
2-(2-bromopentan-3-yl)pyrazine
CID 63203717
1-pyrazin-2-ylhexan-3-one
CID 64504751
1-pyrazin-2-ylethylphosphane
CID 59073972
2-ethyl-6-propylpyrazine
CID 54541556
(4-propylphenyl)-pyrazin-2-ylmethanamine
CID 62801095
N-ethyl-2-methyl-3-pyrazin-2-ylpropan-1-amine
CID 64663910
ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine
CID 161329033
2-(2-chloropentan-3-yl)pyrazine
CID 63203167
2-butylpyrazine;fluoro dihydrogen phosphate
CID 174913013
N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
4-pyrazin-2-ylpentan-2-amine
CID 64721175

Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine?
The IUPAC name of 2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine (CID 160532833) is 2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine.
What is the SMILES notation for 2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine?
The canonical SMILES for 2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine is CC(C)c1cnccn1.CCCc1cnccn1.CCc1cnccn1.
What is the InChIKey of 2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine?
The InChIKey is QVTURGNCGYIZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10N2.C6H8N2/c1-6(2)7-5-8-3-4-9-7;1-2-3-7-6-8-4-5-9-7;1-2-6-5-7-3-4-8-6/h3-6H,1-2H3;4-6H,2-3H2,1H3;3-5H,2H2,1H3.
What are the key properties of 2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine?
2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine has a molecular weight of 352.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine is sourced from PubChem (CID 160532833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).