8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene

C16H18N4 — CID 137175974

IUPAC8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene
SMILESc1ccc(C2C3=C(CCCCC3)Nc3ncnn32)cc1
InChIInChI=1S/C16H18N4/c1-3-7-12(8-4-1)15-13-9-5-2-6-10-14(13)19-16-17-11-18-20(15)16/h1,3-4,7-8,11,15H,2,5-6,9-10H2,(H,17,18,19)
InChIKeyXIWAGSZOBQPOOV-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.51
Rot. Bonds1

About 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene

8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene (PubChem CID 137175974) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene.

Molecular Properties

Compound Name8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene
PubChem CID137175974
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene
SMILESc1ccc(C2C3=C(CCCCC3)Nc3ncnn32)cc1
InChIInChI=1S/C16H18N4/c1-3-7-12(8-4-1)15-13-9-5-2-6-10-14(13)19-16-17-11-18-20(15)16/h1,3-4,7-8,11,15H,2,5-6,9-10H2,(H,17,18,19)
InChIKeyXIWAGSZOBQPOOV-UHFFFAOYSA-N
XLogP3.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene with MolForge

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Related Compounds

(9R)-9-phenyl-4,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 716880
9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 5060101
(9R)-5-benzylidene-9-phenyl-6,7,8,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazoline
CID 135726778
(5E,9R)-5-benzylidene-9-phenyl-6,7,8,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazoline
CID 745433
9-(4-phenylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135646002
(9S)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 694104
(9S)-9-(4-bromophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 694120
5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 135646452
(6S,9R)-6-(4-fluorophenyl)-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135772284
2-(8-oxo-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoic acid
CID 135646017
(9S)-9-(4-methylsulfanylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 136664094
9-(4-methylphenyl)-6-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4907247

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene?
The IUPAC name of 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene (CID 137175974) is 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene.
What is the SMILES notation for 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene?
The canonical SMILES for 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene is c1ccc(C2C3=C(CCCCC3)Nc3ncnn32)cc1.
What is the InChIKey of 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene?
The InChIKey is XIWAGSZOBQPOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-7-12(8-4-1)15-13-9-5-2-6-10-14(13)19-16-17-11-18-20(15)16/h1,3-4,7-8,11,15H,2,5-6,9-10H2,(H,17,18,19).
What are the key properties of 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene?
8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene has a molecular weight of 266.35 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-triene is sourced from PubChem (CID 137175974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).