(1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene

C12H15N5 — CID 10680927

IUPAC(1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)c1nc3nnnn3cc12
InChIInChI=1S/C12H15N5/c1-11(2)8-4-5-12(11,3)9-7(8)6-17-10(13-9)14-15-16-17/h6,8H,4-5H2,1-3H3/t8-,12+/m1/s1
InChIKeyOBLBGTAGYXEWGX-PELKAZGASA-N
MW229.29 g/mol
LogP1.69
Rot. Bonds

About (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene

(1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene (PubChem CID 10680927) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name(1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene
PubChem CID10680927
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name(1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)c1nc3nnnn3cc12
InChIInChI=1S/C12H15N5/c1-11(2)8-4-5-12(11,3)9-7(8)6-17-10(13-9)14-15-16-17/h6,8H,4-5H2,1-3H3/t8-,12+/m1/s1
InChIKeyOBLBGTAGYXEWGX-PELKAZGASA-N
XLogP1.69
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene?
The IUPAC name of (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene (CID 10680927) is (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene.
What is the SMILES notation for (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene?
The canonical SMILES for (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene is CC1(C)[C@@H]2CC[C@@]1(C)c1nc3nnnn3cc12.
What is the InChIKey of (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene?
The InChIKey is OBLBGTAGYXEWGX-PELKAZGASA-N. The full InChI is InChI=1S/C12H15N5/c1-11(2)8-4-5-12(11,3)9-7(8)6-17-10(13-9)14-15-16-17/h6,8H,4-5H2,1-3H3/t8-,12+/m1/s1.
What are the key properties of (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene?
(1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene has a molecular weight of 229.29 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11S)-1,14,14-trimethyl-3,5,6,7,8-pentazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,6,9-tetraene is sourced from PubChem (CID 10680927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).