3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene

C17H18N2 — CID 3436833

IUPAC3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
SMILESCc1nc(-c2ccccc2)nc2c1C1C(C2)C1(C)C
InChIInChI=1S/C17H18N2/c1-10-14-13(9-12-15(14)17(12,2)3)19-16(18-10)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3
InChIKeyVVZNGIWLPQQXHU-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.75
Rot. Bonds1

About 3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene

3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene (PubChem CID 3436833) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene.

Molecular Properties

Compound Name3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
PubChem CID3436833
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
SMILESCc1nc(-c2ccccc2)nc2c1C1C(C2)C1(C)C
InChIInChI=1S/C17H18N2/c1-10-14-13(9-12-15(14)17(12,2)3)19-16(18-10)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3
InChIKeyVVZNGIWLPQQXHU-UHFFFAOYSA-N
XLogP3.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene?
The IUPAC name of 3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene (CID 3436833) is 3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene.
What is the SMILES notation for 3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene?
The canonical SMILES for 3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene is Cc1nc(-c2ccccc2)nc2c1C1C(C2)C1(C)C.
What is the InChIKey of 3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene?
The InChIKey is VVZNGIWLPQQXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-10-14-13(9-12-15(14)17(12,2)3)19-16(18-10)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3.
What are the key properties of 3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene?
3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene has a molecular weight of 250.34 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,10-trimethyl-8-phenyl-7,9-diazatricyclo[4.4.0.02,4]deca-1(10),6,8-triene is sourced from PubChem (CID 3436833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).