ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole

C14H23N3 — CID 143413768

IUPACethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole
SMILESC=C/C=C\C(C)=C/C=C.CC.Cc1ncn[nH]1
InChIInChI=1S/C9H12.C3H5N3.C2H6/c1-4-6-8-9(3)7-5-2;1-3-4-2-5-6-3;1-2/h4-8H,1-2H2,3H3;2H,1H3,(H,4,5,6);1-2H3/b8-6-,9-7-;;
InChIKeyIEIMZKZAVFUCIG-SGBPTPMJSA-N
MW233.36 g/mol
LogP4.00
Rot. Bonds3

About ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole

ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole (PubChem CID 143413768) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Nameethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole
PubChem CID143413768
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Nameethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole
SMILESC=C/C=C\C(C)=C/C=C.CC.Cc1ncn[nH]1
InChIInChI=1S/C9H12.C3H5N3.C2H6/c1-4-6-8-9(3)7-5-2;1-3-4-2-5-6-3;1-2/h4-8H,1-2H2,3H3;2H,1H3,(H,4,5,6);1-2H3/b8-6-,9-7-;;
InChIKeyIEIMZKZAVFUCIG-SGBPTPMJSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole with MolForge

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Related Compounds

5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
1,2,3,4,5-pentamethylbenzene-6-ide;5-(1H-1,2,4-triazol-5-yl)-2H-pyridin-2-ide;tungsten(2+)
CID 59252450
5-cyclohexa-2,4-dien-1-yl-1H-1,2,4-triazole
CID 69763244
5-methyl-3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-1,2,4-triazole
CID 89611446
5-pent-3-enyl-1H-1,2,4-triazole
CID 90974039
5-[(2E,4Z)-octa-2,4-dien-3-yl]-1H-1,2,4-triazole
CID 117662523
5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole
CID 122674395
5-cyclohepta-1,3,5,6-tetraen-1-yl-1H-1,2,4-triazole
CID 123560741
5-[(3E)-4-methylhepta-1,3-dien-2-yl]-1H-1,2,4-triazole
CID 124005216
5-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-1H-1,2,4-triazole
CID 124021324
5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1H-1,2,4-triazole
CID 129196346
5-heptadec-1-enyl-1H-1,2,4-triazole
CID 130199832

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole?
The IUPAC name of ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole (CID 143413768) is ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole is C=C/C=C\C(C)=C/C=C.CC.Cc1ncn[nH]1.
What is the InChIKey of ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole?
The InChIKey is IEIMZKZAVFUCIG-SGBPTPMJSA-N. The full InChI is InChI=1S/C9H12.C3H5N3.C2H6/c1-4-6-8-9(3)7-5-2;1-3-4-2-5-6-3;1-2/h4-8H,1-2H2,3H3;2H,1H3,(H,4,5,6);1-2H3/b8-6-,9-7-;;.
What are the key properties of ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole?
ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole has a molecular weight of 233.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 143413768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).