2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene

C14H17N3 — CID 24733373

IUPAC2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
SMILESCC1=NC2(CCNCC2)N=C1c1ccccc1
InChIInChI=1S/C14H17N3/c1-11-13(12-5-3-2-4-6-12)17-14(16-11)7-9-15-10-8-14/h2-6,15H,7-10H2,1H3
InChIKeyZXEATURYXSTYNS-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.03
Rot. Bonds1

About 2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene

2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene (PubChem CID 24733373) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene.

Molecular Properties

Compound Name2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
PubChem CID24733373
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
SMILESCC1=NC2(CCNCC2)N=C1c1ccccc1
InChIInChI=1S/C14H17N3/c1-11-13(12-5-3-2-4-6-12)17-14(16-11)7-9-15-10-8-14/h2-6,15H,7-10H2,1H3
InChIKeyZXEATURYXSTYNS-UHFFFAOYSA-N
XLogP2.03
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene?
The IUPAC name of 2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene (CID 24733373) is 2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene.
What is the SMILES notation for 2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene?
The canonical SMILES for 2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene is CC1=NC2(CCNCC2)N=C1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene?
The InChIKey is ZXEATURYXSTYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-13(12-5-3-2-4-6-12)17-14(16-11)7-9-15-10-8-14/h2-6,15H,7-10H2,1H3.
What are the key properties of 2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene?
2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene has a molecular weight of 227.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene is sourced from PubChem (CID 24733373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).