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

C15H15N3 — CID 154955725

IUPAC2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine
SMILESCC1=CC=CC1c1ncnc(C2=CCCC=C2)n1
InChIInChI=1S/C15H15N3/c1-11-6-5-9-13(11)15-17-10-16-14(18-15)12-7-3-2-4-8-12/h3,5-10,13H,2,4H2,1H3
InChIKeyKVALWEVQQVNYNY-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.20
Rot. Bonds2

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

2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine (PubChem CID 154955725) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine
PubChem CID154955725
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine
SMILESCC1=CC=CC1c1ncnc(C2=CCCC=C2)n1
InChIInChI=1S/C15H15N3/c1-11-6-5-9-13(11)15-17-10-16-14(18-15)12-7-3-2-4-8-12/h3,5-10,13H,2,4H2,1H3
InChIKeyKVALWEVQQVNYNY-UHFFFAOYSA-N
XLogP3.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine (CID 154955725) is 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine is CC1=CC=CC1c1ncnc(C2=CCCC=C2)n1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine?
The InChIKey is KVALWEVQQVNYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-6-5-9-13(11)15-17-10-16-14(18-15)12-7-3-2-4-8-12/h3,5-10,13H,2,4H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine has a molecular weight of 237.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 154955725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).