10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C17H16N4O — CID 67217151

IUPAC10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCOc1ccc(-c2ncn3c2c(C)nc2[nH]ccc23)c(C)c1
InChIInChI=1S/C17H16N4O/c1-10-8-12(22-3)4-5-13(10)15-16-11(2)20-17-14(6-7-18-17)21(16)9-19-15/h4-9,18H,1-3H3
InChIKeyBLWMOFHVQIGWDV-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.50
Rot. Bonds2

About 10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 67217151) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID67217151
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCOc1ccc(-c2ncn3c2c(C)nc2[nH]ccc23)c(C)c1
InChIInChI=1S/C17H16N4O/c1-10-8-12(22-3)4-5-13(10)15-16-11(2)20-17-14(6-7-18-17)21(16)9-19-15/h4-9,18H,1-3H3
InChIKeyBLWMOFHVQIGWDV-UHFFFAOYSA-N
XLogP3.50
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 67216891
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
CID 106518637
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106518634
5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 154756384
4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 50984185
3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine
CID 142247169
5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione
CID 106518594
3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine
CID 65318561
2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356459
6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976055
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832

Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 67217151) is 10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is COc1ccc(-c2ncn3c2c(C)nc2[nH]ccc23)c(C)c1.
What is the InChIKey of 10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is BLWMOFHVQIGWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-10-8-12(22-3)4-5-13(10)15-16-11(2)20-17-14(6-7-18-17)21(16)9-19-15/h4-9,18H,1-3H3.
What are the key properties of 10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 292.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 67217151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).