1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene

C16H28N2 — CID 143803423

IUPAC1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C=C/C.CC.CC1=CN(C)CC=N1
InChIInChI=1S/C8H12.C6H10N2.C2H6/c1-4-6-7-8(3)5-2;1-6-5-8(2)4-3-7-6;1-2/h4-7H,2H2,1,3H3;3,5H,4H2,1-2H3;1-2H3/b6-4-,8-7-;;
InChIKeyCKBQICXSXHRHKH-GTWMBCDHSA-N
MW248.41 g/mol
LogP4.58
Rot. Bonds2

About 1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene

1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene (PubChem CID 143803423) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene
PubChem CID143803423
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C=C/C.CC.CC1=CN(C)CC=N1
InChIInChI=1S/C8H12.C6H10N2.C2H6/c1-4-6-7-8(3)5-2;1-6-5-8(2)4-3-7-6;1-2/h4-7H,2H2,1,3H3;3,5H,4H2,1-2H3;1-2H3/b6-4-,8-7-;;
InChIKeyCKBQICXSXHRHKH-GTWMBCDHSA-N
XLogP4.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene?
The IUPAC name of 1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene (CID 143803423) is 1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene.
What is the SMILES notation for 1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene?
The canonical SMILES for 1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene is C=C/C(C)=C\C=C/C.CC.CC1=CN(C)CC=N1.
What is the InChIKey of 1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene?
The InChIKey is CKBQICXSXHRHKH-GTWMBCDHSA-N. The full InChI is InChI=1S/C8H12.C6H10N2.C2H6/c1-4-6-7-8(3)5-2;1-6-5-8(2)4-3-7-6;1-2/h4-7H,2H2,1,3H3;3,5H,4H2,1-2H3;1-2H3/b6-4-,8-7-;;.
What are the key properties of 1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene?
1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene has a molecular weight of 248.41 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2H-pyrazine;ethane;(3Z,5Z)-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 143803423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).