(1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene

C13H20N4 — CID 10847198

IUPAC(1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene
SMILESCC12C([C@@H]3CC[C@@]1(C)N=N3)[C@H]1CC[C@]2(C)N=N1
InChIInChI=1S/C13H20N4/c1-11-6-4-8(14-16-11)10-9-5-7-12(2,17-15-9)13(10,11)3/h8-10H,4-7H2,1-3H3/t8-,9+,10?,11+,12-,13?
InChIKeyGHAPPPDNOQHWAM-YHZBNRDRSA-N
MW232.33 g/mol
LogP3.38
Rot. Bonds

About (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene

(1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene (PubChem CID 10847198) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene.

Molecular Properties

Compound Name(1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene
PubChem CID10847198
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene
SMILESCC12C([C@@H]3CC[C@@]1(C)N=N3)[C@H]1CC[C@]2(C)N=N1
InChIInChI=1S/C13H20N4/c1-11-6-4-8(14-16-11)10-9-5-7-12(2,17-15-9)13(10,11)3/h8-10H,4-7H2,1-3H3/t8-,9+,10?,11+,12-,13?
InChIKeyGHAPPPDNOQHWAM-YHZBNRDRSA-N
XLogP3.38
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene?
The IUPAC name of (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene (CID 10847198) is (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene.
What is the SMILES notation for (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene?
The canonical SMILES for (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene is CC12C([C@@H]3CC[C@@]1(C)N=N3)[C@H]1CC[C@]2(C)N=N1.
What is the InChIKey of (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene?
The InChIKey is GHAPPPDNOQHWAM-YHZBNRDRSA-N. The full InChI is InChI=1S/C13H20N4/c1-11-6-4-8(14-16-11)10-9-5-7-12(2,17-15-9)13(10,11)3/h8-10H,4-7H2,1-3H3/t8-,9+,10?,11+,12-,13?.
What are the key properties of (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene?
(1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene has a molecular weight of 232.33 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6R,8S)-1,2,3-trimethyl-4,5,9,10-tetrazatetracyclo[6.2.2.23,6.02,7]tetradeca-4,9-diene is sourced from PubChem (CID 10847198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).