2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol

C11H18N4O — CID 136841520

IUPAC2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol
SMILESOCCC1CNc2c3c(nn2C1)NCCC3
InChIInChI=1S/C11H18N4O/c16-5-3-8-6-13-11-9-2-1-4-12-10(9)14-15(11)7-8/h8,13,16H,1-7H2,(H,12,14)
InChIKeyIGWMPJIDZHTOED-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds2

About 2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol

2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol (PubChem CID 136841520) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol.

Molecular Properties

Compound Name2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol
PubChem CID136841520
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol
SMILESOCCC1CNc2c3c(nn2C1)NCCC3
InChIInChI=1S/C11H18N4O/c16-5-3-8-6-13-11-9-2-1-4-12-10(9)14-15(11)7-8/h8,13,16H,1-7H2,(H,12,14)
InChIKeyIGWMPJIDZHTOED-UHFFFAOYSA-N
XLogP0.67
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841533
6-propan-2-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841580
6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841572
6-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 136688043
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 114797753
2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114798323
6-(3-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841536
ethane-1,2-diol;ethene;pyrrolidin-2-one
CID 69133402
3-(chloromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine
CID 165457989
(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 122456413
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137011861
2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol
CID 51039714

Frequently Asked Questions

What is the IUPAC name of 2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol?
The IUPAC name of 2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol (CID 136841520) is 2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol.
What is the SMILES notation for 2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol?
The canonical SMILES for 2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol is OCCC1CNc2c3c(nn2C1)NCCC3.
What is the InChIKey of 2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol?
The InChIKey is IGWMPJIDZHTOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-5-3-8-6-13-11-9-2-1-4-12-10(9)14-15(11)7-8/h8,13,16H,1-7H2,(H,12,14).
What are the key properties of 2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol?
2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol has a molecular weight of 222.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-5-yl)ethanol is sourced from PubChem (CID 136841520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).