(6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

C13H21N3 — CID 155459933

IUPAC(6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCC1C2CCc3c(nnn3C(C)C)CC[C@H]12
InChIInChI=1S/C13H21N3/c1-8(2)16-13-7-5-11-9(3)10(11)4-6-12(13)14-15-16/h8-11H,4-7H2,1-3H3/t9?,10-,11?/m1/s1
InChIKeyAAYZWABKXSABKW-HSOILSAZSA-N
MW219.33 g/mol
LogP2.62
Rot. Bonds1

About (6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

(6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (PubChem CID 155459933) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.

Molecular Properties

Compound Name(6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
PubChem CID155459933
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCC1C2CCc3c(nnn3C(C)C)CC[C@H]12
InChIInChI=1S/C13H21N3/c1-8(2)16-13-7-5-11-9(3)10(11)4-6-12(13)14-15-16/h8-11H,4-7H2,1-3H3/t9?,10-,11?/m1/s1
InChIKeyAAYZWABKXSABKW-HSOILSAZSA-N
XLogP2.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The IUPAC name of (6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (CID 155459933) is (6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.
What is the SMILES notation for (6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The canonical SMILES for (6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is CC1C2CCc3c(nnn3C(C)C)CC[C@H]12.
What is the InChIKey of (6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The InChIKey is AAYZWABKXSABKW-HSOILSAZSA-N. The full InChI is InChI=1S/C13H21N3/c1-8(2)16-13-7-5-11-9(3)10(11)4-6-12(13)14-15-16/h8-11H,4-7H2,1-3H3/t9?,10-,11?/m1/s1.
What are the key properties of (6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
(6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene has a molecular weight of 219.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is sourced from PubChem (CID 155459933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).