[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine

C14H20N4 — CID 143344510

IUPAC[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine
SMILESC=CC(=C)/C=C(\C(=C)CC)n1nc(CN)nc1C
InChIInChI=1S/C14H20N4/c1-6-10(3)8-13(11(4)7-2)18-12(5)16-14(9-15)17-18/h6,8H,1,3-4,7,9,15H2,2,5H3/b13-8-
InChIKeyKVRXNZXPEGXHMV-JYRVWZFOSA-N
MW244.34 g/mol
LogP2.59
Rot. Bonds6

About [1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine

[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 143344510) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID143344510
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine
SMILESC=CC(=C)/C=C(\C(=C)CC)n1nc(CN)nc1C
InChIInChI=1S/C14H20N4/c1-6-10(3)8-13(11(4)7-2)18-12(5)16-14(9-15)17-18/h6,8H,1,3-4,7,9,15H2,2,5H3/b13-8-
InChIKeyKVRXNZXPEGXHMV-JYRVWZFOSA-N
XLogP2.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine
CID 139459227
5-(2,5-Dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine
CID 141127060
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
(4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine
CID 143342785
[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine;ethane
CID 143344509
(3E)-N-[[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]hexa-1,3,5-trien-3-amine
CID 143995021
1-[1-[4-(2-Aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine;ethane
CID 145426366
(Z)-2-N-(5-cyclohepta-1,4,6-trien-1-yl-2-methyl-1,2,4-triazol-3-yl)-1-N-ethylbut-2-ene-1,2-diamine
CID 143995155
1-[1-[4-(2-Aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine
CID 145426367

Frequently Asked Questions

What is the IUPAC name of [1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine (CID 143344510) is [1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine is C=CC(=C)/C=C(\C(=C)CC)n1nc(CN)nc1C.
What is the InChIKey of [1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is KVRXNZXPEGXHMV-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H20N4/c1-6-10(3)8-13(11(4)7-2)18-12(5)16-14(9-15)17-18/h6,8H,1,3-4,7,9,15H2,2,5H3/b13-8-.
What are the key properties of [1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine?
[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 143344510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).