3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane

C9H18N4 — CID 58681478

IUPAC3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane
SMILESC1CNC2C3NCCCN3CN2C1
InChIInChI=1S/C9H18N4/c1-3-10-8-9-11-4-2-6-13(9)7-12(8)5-1/h8-11H,1-7H2
InChIKeyBYCKYAZVOCRRSL-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.80
Rot. Bonds

About 3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane

3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane (PubChem CID 58681478) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane.

Molecular Properties

Compound Name3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane
PubChem CID58681478
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane
SMILESC1CNC2C3NCCCN3CN2C1
InChIInChI=1S/C9H18N4/c1-3-10-8-9-11-4-2-6-13(9)7-12(8)5-1/h8-11H,1-7H2
InChIKeyBYCKYAZVOCRRSL-UHFFFAOYSA-N
XLogP-0.80
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-3,7,10,14-tetrazatricyclo[8.4.0.02,7]tetradecane
CID 10867261
2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrimidine
CID 91218525
(8S)-8-methyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 168842320
3-methyl-1-(thian-2-yl)-1,4-diazepane
CID 115102102
1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine
CID 102567834
1-cycloheptyl-3-cyclohexyl-1,4-diazepane
CID 64945306
2,3,4,6,7,8,9,9a-octahydropyrimido[1,2-a]pyrimidine-1-carboxylate
CID 135041928
1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
CID 83670813
2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine
CID 175408092
(2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane
CID 168910236
1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane
CID 64743687
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane
CID 103968508

Frequently Asked Questions

What is the IUPAC name of 3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane?
The IUPAC name of 3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane (CID 58681478) is 3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane.
What is the SMILES notation for 3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane?
The canonical SMILES for 3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane is C1CNC2C3NCCCN3CN2C1.
What is the InChIKey of 3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane?
The InChIKey is BYCKYAZVOCRRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-10-8-9-11-4-2-6-13(9)7-12(8)5-1/h8-11H,1-7H2.
What are the key properties of 3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane?
3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane has a molecular weight of 182.27 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9,13-tetrazatricyclo[7.4.0.02,7]tridecane is sourced from PubChem (CID 58681478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).