(10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

C12H17N3O — CID 167192471

IUPAC(10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESCc1cnc2c(c1)OC[C@@H]1CN(C)CCN21
InChIInChI=1S/C12H17N3O/c1-9-5-11-12(13-6-9)15-4-3-14(2)7-10(15)8-16-11/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m0/s1
InChIKeyFAPHNQSRATXDGG-JTQLQIEISA-N
MW219.29 g/mol
LogP0.90
Rot. Bonds

About (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

(10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (PubChem CID 167192471) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.

Molecular Properties

Compound Name(10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
PubChem CID167192471
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESCc1cnc2c(c1)OC[C@@H]1CN(C)CCN21
InChIInChI=1S/C12H17N3O/c1-9-5-11-12(13-6-9)15-4-3-14(2)7-10(15)8-16-11/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m0/s1
InChIKeyFAPHNQSRATXDGG-JTQLQIEISA-N
XLogP0.90
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene 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

Rbi 257
CID 5041
U 101958
CID 5615
4-methyl-7-(phenoxymethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazine
CID 51003564
3-ethoxy-5-methyl-N-(6-methylpyridin-2-yl)pyridin-2-amine
CID 11299520
(7R,9aS)-7-Phenoxymethyl-2-pyridin-2-yl-octahydro-pyrido[1,2-a]pyrazine
CID 44376918
[1-(5-Methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89488552
U 99363
CID 133107
3,4-Dihydro-2H-pyrido(3,2-b)(1,4)oxazine
CID 13196538
4-methyl-7-(phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 51003580
4-(2-methoxyethyl)-7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53317122
4-(methylsulfonyl)-7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53317123
7-(phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53318400

Frequently Asked Questions

What is the IUPAC name of (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The IUPAC name of (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (CID 167192471) is (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.
What is the SMILES notation for (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The canonical SMILES for (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is Cc1cnc2c(c1)OC[C@@H]1CN(C)CCN21.
What is the InChIKey of (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The InChIKey is FAPHNQSRATXDGG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-5-11-12(13-6-9)15-4-3-14(2)7-10(15)8-16-11/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
(10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene has a molecular weight of 219.29 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is sourced from PubChem (CID 167192471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).