(1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione

C12H19N3O2 — CID 59957181

IUPAC(1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione
SMILESO=C1NCCCNC2CCC3CC[C@@H]1N3C2=O
InChIInChI=1S/C12H19N3O2/c16-11-10-5-3-8-2-4-9(12(17)15(8)10)13-6-1-7-14-11/h8-10,13H,1-7H2,(H,14,16)/t8?,9?,10-/m0/s1
InChIKeyNZVPQKATMRECMV-RTBKNWGFSA-N
MW237.30 g/mol
LogP-0.38
Rot. Bonds

About (1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione

(1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione (PubChem CID 59957181) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione.

Molecular Properties

Compound Name(1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione
PubChem CID59957181
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione
SMILESO=C1NCCCNC2CCC3CC[C@@H]1N3C2=O
InChIInChI=1S/C12H19N3O2/c16-11-10-5-3-8-2-4-9(12(17)15(8)10)13-6-1-7-14-11/h8-10,13H,1-7H2,(H,14,16)/t8?,9?,10-/m0/s1
InChIKeyNZVPQKATMRECMV-RTBKNWGFSA-N
XLogP-0.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59897538
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CID 124631691
2,9-diazabicyclo[9.3.0]tetradecan-10-one
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(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one
CID 178194652
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Frequently Asked Questions

What is the IUPAC name of (1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione?
The IUPAC name of (1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione (CID 59957181) is (1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione.
What is the SMILES notation for (1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione?
The canonical SMILES for (1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione is O=C1NCCCNC2CCC3CC[C@@H]1N3C2=O.
What is the InChIKey of (1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione?
The InChIKey is NZVPQKATMRECMV-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11-10-5-3-8-2-4-9(12(17)15(8)10)13-6-1-7-14-11/h8-10,13H,1-7H2,(H,14,16)/t8?,9?,10-/m0/s1.
What are the key properties of (1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione?
(1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione has a molecular weight of 237.30 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,7,14-triazatricyclo[6.5.2.011,14]pentadecane-2,15-dione is sourced from PubChem (CID 59957181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).