3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene

C16H22N6 — CID 167581272

IUPAC3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESCCCN1CC(CC)N(n2cnc3cnc4[nH]ccc4c32)C1
InChIInChI=1S/C16H22N6/c1-3-7-20-9-12(4-2)22(11-20)21-10-19-14-8-18-16-13(15(14)21)5-6-17-16/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3,(H,17,18)
InChIKeyHFWQDWSELMGURV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.31
Rot. Bonds4

About 3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene

3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (PubChem CID 167581272) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene.

Molecular Properties

Compound Name3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
PubChem CID167581272
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESCCCN1CC(CC)N(n2cnc3cnc4[nH]ccc4c32)C1
InChIInChI=1S/C16H22N6/c1-3-7-20-9-12(4-2)22(11-20)21-10-19-14-8-18-16-13(15(14)21)5-6-17-16/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3,(H,17,18)
InChIKeyHFWQDWSELMGURV-UHFFFAOYSA-N
XLogP2.31
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrrolidin-3-amine
CID 167617759
3-[1-(2-methoxyethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394616
3-(1-benzylazetidin-3-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394456
3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394819
3-(trifluoromethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 140566232
3-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]propanenitrile
CID 67343448
N,N-dimethyl-2-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]acetamide
CID 67352630
N-(2-methoxyethyl)-3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclopentan-1-amine
CID 67353139
3-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394751
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
3-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395252
3-[4-(4-propyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]propanenitrile
CID 53341498

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The IUPAC name of 3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (CID 167581272) is 3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene.
What is the SMILES notation for 3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The canonical SMILES for 3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is CCCN1CC(CC)N(n2cnc3cnc4[nH]ccc4c32)C1.
What is the InChIKey of 3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The InChIKey is HFWQDWSELMGURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-3-7-20-9-12(4-2)22(11-20)21-10-19-14-8-18-16-13(15(14)21)5-6-17-16/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3,(H,17,18).
What are the key properties of 3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene has a molecular weight of 298.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-3-propylimidazolidin-1-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is sourced from PubChem (CID 167581272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).