2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine

C11H13N3 — CID 140971764

IUPAC2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
SMILESCC1=CCC(C)(c2ncncn2)C=C1
InChIInChI=1S/C11H13N3/c1-9-3-5-11(2,6-4-9)10-13-7-12-8-14-10/h3-5,7-8H,6H2,1-2H3
InChIKeyLXBLKLSPRHUISP-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.04
Rot. Bonds1

About 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine

2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine (PubChem CID 140971764) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
PubChem CID140971764
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
SMILESCC1=CCC(C)(c2ncncn2)C=C1
InChIInChI=1S/C11H13N3/c1-9-3-5-11(2,6-4-9)10-13-7-12-8-14-10/h3-5,7-8H,6H2,1-2H3
InChIKeyLXBLKLSPRHUISP-UHFFFAOYSA-N
XLogP2.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexa-2,4-dien-1-yl-1,3,5-triazine
CID 22336442
2-Cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine
CID 129200532
2-(1,4-Dimethylcyclohepta-2,4,6-trien-1-yl)-1,3,5-triazine
CID 137383553
2-Cyclohexa-1,5-dien-1-yl-1,3,5-triazine
CID 138618009
6-(1,2-Dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine-2,4-diamine
CID 141069955
2-(1,6-Dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 141155390
ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine
CID 143477468
2,4-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine;ethane
CID 144983703
2-(1,4-Dimethylcyclohepta-2,4,6-trien-1-yl)-1,3,5-triazine;ethane
CID 145687118
2,4-Bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 154388626
2-Cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine
CID 154955725
2-(4-Methylcyclohexa-1,5-dien-1-yl)-4-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 156225701

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine (CID 140971764) is 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine is CC1=CCC(C)(c2ncncn2)C=C1.
What is the InChIKey of 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine?
The InChIKey is LXBLKLSPRHUISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-3-5-11(2,6-4-9)10-13-7-12-8-14-10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine?
2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine has a molecular weight of 187.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 140971764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).