2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine

C15H19N3 — CID 145347971

IUPAC2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1ncnc(C2(C)CC23C=CC=CC3)n1
InChIInChI=1S/C15H19N3/c1-11(2)12-16-10-17-13(18-12)14(3)9-15(14)7-5-4-6-8-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyOEFGCBOEKCJFHJ-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.16
Rot. Bonds2

About 2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine

2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine (PubChem CID 145347971) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine
PubChem CID145347971
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1ncnc(C2(C)CC23C=CC=CC3)n1
InChIInChI=1S/C15H19N3/c1-11(2)12-16-10-17-13(18-12)14(3)9-15(14)7-5-4-6-8-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyOEFGCBOEKCJFHJ-UHFFFAOYSA-N
XLogP3.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohex-2-en-1-yl-1,3,5-triazine
CID 70120396
2-(3,6-Dimethyloct-6-enyl)-4-methyl-1,3,5-triazine
CID 123551205
2-(1,6-Dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 141155390
2-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane
CID 142126137
2-(2,8-dimethylspiro[2.5]octa-4,6-dien-2-yl)-4-[(3Z,5Z)-2-methylocta-3,5,7-trien-2-yl]-1,3,5-triazine
CID 142355524
2,4-Bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 154388626
2-[(6S)-1-bicyclo[4.1.0]hepta-2,4-dienyl]-1,3,5-triazine
CID 167122054
2-[(5Z)-hepta-1,5-dien-3-yl]-4-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 169851704
2,4-dimethyl-6-[(6S)-6-methyl-6-pentylcyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 173604810
2-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine
CID 142126138
2-[2-(1-Bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine
CID 142355694
2-(2,8-Dimethylspiro[2.5]octa-4,6-dien-2-yl)-4-propan-2-yl-1,3,5-triazine
CID 145348068

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine (CID 145347971) is 2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine is CC(C)c1ncnc(C2(C)CC23C=CC=CC3)n1.
What is the InChIKey of 2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine?
The InChIKey is OEFGCBOEKCJFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11(2)12-16-10-17-13(18-12)14(3)9-15(14)7-5-4-6-8-15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine?
2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine has a molecular weight of 241.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 145347971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).