2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine

C20H25N3 — CID 145283888

IUPAC2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine
SMILESC=C(C)/C(=C\C=C/CC)c1nc(C)nc(C2(C)C=CC=CC2)n1
InChIInChI=1S/C20H25N3/c1-6-7-9-12-17(15(2)3)18-21-16(4)22-19(23-18)20(5)13-10-8-11-14-20/h7-13H,2,6,14H2,1,3-5H3/b9-7-,17-12+
InChIKeyRYQBDTQXQBXMEO-RZYRPPGSSA-N
MW307.44 g/mol
LogP4.88
Rot. Bonds5

About 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine

2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine (PubChem CID 145283888) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine
PubChem CID145283888
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine
SMILESC=C(C)/C(=C\C=C/CC)c1nc(C)nc(C2(C)C=CC=CC2)n1
InChIInChI=1S/C20H25N3/c1-6-7-9-12-17(15(2)3)18-21-16(4)22-19(23-18)20(5)13-10-8-11-14-20/h7-13H,2,6,14H2,1,3-5H3/b9-7-,17-12+
InChIKeyRYQBDTQXQBXMEO-RZYRPPGSSA-N
XLogP4.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-4-cyclohexa-1,3-dien-1-yl-6-[(4Z)-hepta-4,6-dien-3-yl]-1,3,5-triazine
CID 88580786
2-Cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-iodo-1,3,5-triazine
CID 88943138
2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine
CID 121360259
2-Cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine
CID 123394077
2-Chloro-4-penta-1,3-dien-2-yl-6-pent-2-en-2-yl-1,3,5-triazine
CID 123599205
2-Chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine
CID 123974938
2,4-Dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 126728123
2-[(2E,4E)-4-buta-1,3-dien-2-ylhepta-2,4,6-trien-3-yl]-4,6-bis[(3E,5E,6Z)-6-ethenyl-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]-1,3,5-triazine
CID 129191079
2,4-Di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine
CID 130312830
2-methyl-4-[(2Z,4E)-octa-2,4,6,7-tetraen-4-yl]-6-[(3E,5Z)-octa-3,5,7-trien-4-yl]-1,3,5-triazine
CID 131969772
2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine
CID 134224792
2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine
CID 134224952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine?
The IUPAC name of 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine (CID 145283888) is 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine is C=C(C)/C(=C\C=C/CC)c1nc(C)nc(C2(C)C=CC=CC2)n1.
What is the InChIKey of 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine?
The InChIKey is RYQBDTQXQBXMEO-RZYRPPGSSA-N. The full InChI is InChI=1S/C20H25N3/c1-6-7-9-12-17(15(2)3)18-21-16(4)22-19(23-18)20(5)13-10-8-11-14-20/h7-13H,2,6,14H2,1,3-5H3/b9-7-,17-12+.
What are the key properties of 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine?
2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine has a molecular weight of 307.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylcyclohexa-2,4-dien-1-yl)-6-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,3,5-triazine is sourced from PubChem (CID 145283888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).