2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine

C19H28N6 — CID 174888931

IUPAC2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine
SMILESCC.Cc1cnc(C)c(C)n1.Cc1cnc(C)cn1.c1cnccn1
InChIInChI=1S/C7H10N2.C6H8N2.C4H4N2.C2H6/c1-5-4-8-6(2)7(3)9-5;1-5-3-8-6(2)4-7-5;1-2-6-4-3-5-1;1-2/h4H,1-3H3;3-4H,1-2H3;1-4H;1-2H3
InChIKeyWKHSVDVRGJSKRU-UHFFFAOYSA-N
MW340.48 g/mol
LogP4.00
Rot. Bonds

About 2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine

2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine (PubChem CID 174888931) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine.

Molecular Properties

Compound Name2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine
PubChem CID174888931
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine
SMILESCC.Cc1cnc(C)c(C)n1.Cc1cnc(C)cn1.c1cnccn1
InChIInChI=1S/C7H10N2.C6H8N2.C4H4N2.C2H6/c1-5-4-8-6(2)7(3)9-5;1-5-3-8-6(2)4-7-5;1-2-6-4-3-5-1;1-2/h4H,1-3H3;3-4H,1-2H3;1-4H;1-2H3
InChIKeyWKHSVDVRGJSKRU-UHFFFAOYSA-N
XLogP4.00
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethyl-5(or6)-methylpyrazine
CID 16220105
N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 58225637
1-(Pyrazin-2-yl)-N,N-bis[(pyrazin-2-yl)methyl]methanamine
CID 71358186
CID 118278413
CID 118278413
1,4,7,10-Tetrakis(2-pyrazinylmethyl)-1,4,7,10-tetraazacyclododecane
CID 118536913
N1,N1,N3,N3-tetrakis((pyrazin-2-yl)methyl)propane-1,3-diamine
CID 71362661
Bis(cyanato-kappaN)tetrakis(2,6-dimethylpyrazine-kappaN^4^)nickel(II)
CID 139084189
Tris(2,5-dimethylpyrazine);thiourea
CID 139201632
fac-Triaquatris(thiocyanato-kappaN)iron(III)-2,3-dimethylpyrazine (1/3)
CID 168326369
Triaqua(2,6-dimethylpyrazine-kappaN^4^)bis(thiocyanato-kappaN)manganese(II) 2,5-dimethylpyrazine disolvate
CID 168326402
Diaquabis(2,6-dimethylpyrazine-kappaN^4^)bis(thiocyanato-kappaN)cobalt(II) 2,5-dimethylpyrazine monosolvate
CID 168326407
2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine
CID 11436194

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine?
The IUPAC name of 2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine (CID 174888931) is 2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine.
What is the SMILES notation for 2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine?
The canonical SMILES for 2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine is CC.Cc1cnc(C)c(C)n1.Cc1cnc(C)cn1.c1cnccn1.
What is the InChIKey of 2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine?
The InChIKey is WKHSVDVRGJSKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C6H8N2.C4H4N2.C2H6/c1-5-4-8-6(2)7(3)9-5;1-5-3-8-6(2)4-7-5;1-2-6-4-3-5-1;1-2/h4H,1-3H3;3-4H,1-2H3;1-4H;1-2H3.
What are the key properties of 2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine?
2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine has a molecular weight of 340.48 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazine;ethane;pyrazine;2,3,5-trimethylpyrazine is sourced from PubChem (CID 174888931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).