(5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

C12H19N3 — CID 167189415

IUPAC(5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCCn1nnc2c1CCC1C(CC2)[C@H]1C
InChIInChI=1S/C12H19N3/c1-3-15-12-7-5-10-8(2)9(10)4-6-11(12)13-14-15/h8-10H,3-7H2,1-2H3/t8-,9?,10?/m1/s1
InChIKeyBAWUTKQRKNDCCK-XNWIYYODSA-N
MW205.30 g/mol
LogP2.06
Rot. Bonds1

About (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

(5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (PubChem CID 167189415) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.

Molecular Properties

Compound Name(5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
PubChem CID167189415
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCCn1nnc2c1CCC1C(CC2)[C@H]1C
InChIInChI=1S/C12H19N3/c1-3-15-12-7-5-10-8(2)9(10)4-6-11(12)13-14-15/h8-10H,3-7H2,1-2H3/t8-,9?,10?/m1/s1
InChIKeyBAWUTKQRKNDCCK-XNWIYYODSA-N
XLogP2.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4R,6S)-12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanol
CID 126546233
(12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl)methyl acetate
CID 142348732
(4R,5S,6S)-12-tert-butyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
CID 138625606
3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
CID 84717166
(6R)-5-methyl-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
CID 155459933
[(4S,5S)-12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methyl N-propan-2-ylcarbamate
CID 155140089
5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene
CID 167089079
(4R,6S)-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
CID 155069931
2-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)acetic acid
CID 84722836
1-ethyl-6,7-dihydro-4H-benzotriazol-5-one
CID 84717038
5-(ethoxymethyl)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
CID 122647198
1-(3-ethyl-5,7,8,9-tetrahydro-4H-triazolo[4,5-d]azocin-6-yl)ethanone
CID 146213847

Frequently Asked Questions

What is the IUPAC name of (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The IUPAC name of (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (CID 167189415) is (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.
What is the SMILES notation for (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The canonical SMILES for (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is CCn1nnc2c1CCC1C(CC2)[C@H]1C.
What is the InChIKey of (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The InChIKey is BAWUTKQRKNDCCK-XNWIYYODSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-15-12-7-5-10-8(2)9(10)4-6-11(12)13-14-15/h8-10H,3-7H2,1-2H3/t8-,9?,10?/m1/s1.
What are the key properties of (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
(5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene has a molecular weight of 205.30 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is sourced from PubChem (CID 167189415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).