2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine

C14H13N3 — CID 170388285

IUPAC2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine
SMILESCc1nc(C2=CC=CC2)nc(C2=CC=CC2)n1
InChIInChI=1S/C14H13N3/c1-10-15-13(11-6-2-3-7-11)17-14(16-10)12-8-4-5-9-12/h2-6,8H,7,9H2,1H3
InChIKeyOWCGOAVMKJBEFK-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.87
Rot. Bonds2

About 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine

2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine (PubChem CID 170388285) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine
PubChem CID170388285
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine
SMILESCc1nc(C2=CC=CC2)nc(C2=CC=CC2)n1
InChIInChI=1S/C14H13N3/c1-10-15-13(11-6-2-3-7-11)17-14(16-10)12-8-4-5-9-12/h2-6,8H,7,9H2,1H3
InChIKeyOWCGOAVMKJBEFK-UHFFFAOYSA-N
XLogP2.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine
CID 102441252
4-[2-cyclohepta-1,3,5-trien-1-yl-6-(3-methylphenyl)pyrimidin-4-yl]aniline
CID 144595905
2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
CID 102081594
6-chloro-2-cyclopenta-1,3-dien-1-yl-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine
CID 160712949
1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126
1-cyclopenta-1,3-dien-1-yl-4-ethynylbenzene
CID 101449090
2,8-di(cyclopenta-1,3-dien-1-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
CID 58517352
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137
cyclopenta-1,3-dien-1-yl-λ2-stannane
CID 173389158

Frequently Asked Questions

What is the IUPAC name of 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine (CID 170388285) is 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine is Cc1nc(C2=CC=CC2)nc(C2=CC=CC2)n1.
What is the InChIKey of 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine?
The InChIKey is OWCGOAVMKJBEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-15-13(11-6-2-3-7-11)17-14(16-10)12-8-4-5-9-12/h2-6,8H,7,9H2,1H3.
What are the key properties of 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine?
2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine has a molecular weight of 223.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 170388285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).