5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene

C16H14N4O — CID 67216797

IUPAC5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
SMILESCOc1ccc(-c2[nH][nH]c3c2c(C)nc2nccc23)cc1
InChIInChI=1S/C16H14N4O/c1-9-13-14(10-3-5-11(21-2)6-4-10)19-20-15(13)12-7-8-17-16(12)18-9/h3-8,19-20H,1-2H3
InChIKeyHUFKXESLUNNUTL-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.42
Rot. Bonds2

About 5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene

5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene (PubChem CID 67216797) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
PubChem CID67216797
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
SMILESCOc1ccc(-c2[nH][nH]c3c2c(C)nc2nccc23)cc1
InChIInChI=1S/C16H14N4O/c1-9-13-14(10-3-5-11(21-2)6-4-10)19-20-15(13)12-7-8-17-16(12)18-9/h3-8,19-20H,1-2H3
InChIKeyHUFKXESLUNNUTL-UHFFFAOYSA-N
XLogP3.42
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 155569359
iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
2,3-bis(4-methoxyphenyl)pyrido[2,3-b]pyrazine
CID 22166291
6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 134483403
7-(4-methoxyphenyl)-5-methyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 135979275
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
6-(4-methoxyphenyl)quinolin-4-amine
CID 91074771
1-(113C)methoxy-4-methylbenzene
CID 166176950
8-methoxy-1-methylisoquinolin-5-ol
CID 115017702
3-(4-methoxyphenyl)-2,8-dimethylimidazo[1,2-a]pyridine
CID 115404302
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The IUPAC name of 5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene (CID 67216797) is 5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The canonical SMILES for 5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene is COc1ccc(-c2[nH][nH]c3c2c(C)nc2nccc23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The InChIKey is HUFKXESLUNNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-9-13-14(10-3-5-11(21-2)6-4-10)19-20-15(13)12-7-8-17-16(12)18-9/h3-8,19-20H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene has a molecular weight of 278.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene is sourced from PubChem (CID 67216797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).