3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one

C15H18N4O2 — CID 59292049

IUPAC3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
SMILESCOC1CCCCC1n1[nH]c(=O)c2cnc3[nH]ccc3c21
InChIInChI=1S/C15H18N4O2/c1-21-12-5-3-2-4-11(12)19-13-9-6-7-16-14(9)17-8-10(13)15(20)18-19/h6-8,11-12H,2-5H2,1H3,(H,16,17)(H,18,20)
InChIKeyOGFHPUWOMSZAJG-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.34
Rot. Bonds2

About 3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one

3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one (PubChem CID 59292049) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one.

Molecular Properties

Compound Name3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
PubChem CID59292049
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
SMILESCOC1CCCCC1n1[nH]c(=O)c2cnc3[nH]ccc3c21
InChIInChI=1S/C15H18N4O2/c1-21-12-5-3-2-4-11(12)19-13-9-6-7-16-14(9)17-8-10(13)15(20)18-19/h6-8,11-12H,2-5H2,1H3,(H,16,17)(H,18,20)
InChIKeyOGFHPUWOMSZAJG-UHFFFAOYSA-N
XLogP2.34
TPSA75.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-[(1S,2R)-2-methoxycyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 67278550
3-(3-methylcyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
CID 59291864
1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 71264306
3-[(1S,2R)-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 15953425
1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 118524161
3-cyclohexyl-4-[(1R)-1-methoxyethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395538
3-(2-methylcyclohexyl)-5-(3-phenoxypropyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 67278297
3-cyclohexyl-4-[(4-methoxyphenyl)methyl]-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 156786336
1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 172801143
N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 71258218
3-cyclohexyl-5-(4-methylsulfonylphenyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 58382277
cis-(1R,3S)-3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol
CID 91665635

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one?
The IUPAC name of 3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one (CID 59292049) is 3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one.
What is the SMILES notation for 3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one?
The canonical SMILES for 3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one is COC1CCCCC1n1[nH]c(=O)c2cnc3[nH]ccc3c21.
What is the InChIKey of 3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one?
The InChIKey is OGFHPUWOMSZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-12-5-3-2-4-11(12)19-13-9-6-7-16-14(9)17-8-10(13)15(20)18-19/h6-8,11-12H,2-5H2,1H3,(H,16,17)(H,18,20).
What are the key properties of 3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one?
3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one has a molecular weight of 286.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one is sourced from PubChem (CID 59292049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).