11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C15H14N4O — CID 66498200

IUPAC11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCOc1ccc(-c2nc3ncc4c(n3n2)CCC4)cc1
InChIInChI=1S/C15H14N4O/c1-20-12-7-5-10(6-8-12)14-17-15-16-9-11-3-2-4-13(11)19(15)18-14/h5-9H,2-4H2,1H3
InChIKeyLGGPTPRQRXSZCQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.29
Rot. Bonds2

About 11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 66498200) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID66498200
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCOc1ccc(-c2nc3ncc4c(n3n2)CCC4)cc1
InChIInChI=1S/C15H14N4O/c1-20-12-7-5-10(6-8-12)14-17-15-16-9-11-3-2-4-13(11)19(15)18-14/h5-9H,2-4H2,1H3
InChIKeyLGGPTPRQRXSZCQ-UHFFFAOYSA-N
XLogP2.29
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505531
7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497840
7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498306
2-pyridin-4-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505520
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210
11-butyl-4-(4-methoxyphenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 16653855
4-(3-chlorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 103317209
4-(4-methoxyphenyl)-11-(oxolan-2-ylmethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 16653858
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491531
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
2-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62009261

Frequently Asked Questions

What is the IUPAC name of 11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 66498200) is 11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is COc1ccc(-c2nc3ncc4c(n3n2)CCC4)cc1.
What is the InChIKey of 11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is LGGPTPRQRXSZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-12-7-5-10(6-8-12)14-17-15-16-9-11-3-2-4-13(11)19(15)18-14/h5-9H,2-4H2,1H3.
What are the key properties of 11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 266.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 66498200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).