ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine

C16H26N4 — CID 144548795

IUPACethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC/C=c1/nc(C)c2nnc(CCC)n2/c1=C/CC.CC
InChIInChI=1S/C14H20N4.C2H6/c1-5-8-12-11(7-3)15-10(4)14-17-16-13(9-6-2)18(12)14;1-2/h7-8H,5-6,9H2,1-4H3;1-2H3/b11-7+,12-8+;
InChIKeyZGZHNUQYZQXATP-GCHDFIKQSA-N
MW274.41 g/mol
LogP2.40
Rot. Bonds3

About ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine

ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 144548795) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Nameethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID144548795
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Nameethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC/C=c1/nc(C)c2nnc(CCC)n2/c1=C/CC.CC
InChIInChI=1S/C14H20N4.C2H6/c1-5-8-12-11(7-3)15-10(4)14-17-16-13(9-6-2)18(12)14;1-2/h7-8H,5-6,9H2,1-4H3;1-2H3/b11-7+,12-8+;
InChIKeyZGZHNUQYZQXATP-GCHDFIKQSA-N
XLogP2.40
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-[1,2,4]triazolo[1,5-a]pyridine
CID 60042571
3,5-dimethyl-4-[(3E,5E,7Z)-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-yl]-1,2,4-triazole
CID 142902860
(3E)-3-[(5E,6E)-6-ethylidene-8-methyl-5-prop-2-enylidene-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-methylhexa-3,5-dien-2-imine
CID 144548803
4-Cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
CID 144668192
4-Cyclohexa-1,5-dien-1-yl-3,5-dimethyl-1,2,4-triazole;ethane
CID 144668194
(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine
CID 144548796

Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine (CID 144548795) is ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine is C/C=c1/nc(C)c2nnc(CCC)n2/c1=C/CC.CC.
What is the InChIKey of ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZGZHNUQYZQXATP-GCHDFIKQSA-N. The full InChI is InChI=1S/C14H20N4.C2H6/c1-5-8-12-11(7-3)15-10(4)14-17-16-13(9-6-2)18(12)14;1-2/h7-8H,5-6,9H2,1-4H3;1-2H3/b11-7+,12-8+;.
What are the key properties of ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine?
ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 274.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6E)-6-ethylidene-8-methyl-3-propyl-5-propylidene-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 144548795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).