(10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide

C16H24BrN3O — CID 10473297

IUPAC(10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide
SMILESBr.CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1
InChIInChI=1S/C16H23N3O.BrH/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14;/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20);1H/t13-;/m1./s1
InChIKeyUIVCTAQSQDLCFC-BTQNPOSSSA-N
MW354.29 g/mol
LogP2.95
Rot. Bonds5

About (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide

(10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide (PubChem CID 10473297) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide.

Molecular Properties

Compound Name(10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide
PubChem CID10473297
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name(10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide
SMILESBr.CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1
InChIInChI=1S/C16H23N3O.BrH/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14;/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20);1H/t13-;/m1./s1
InChIKeyUIVCTAQSQDLCFC-BTQNPOSSSA-N
XLogP2.95
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide?
The IUPAC name of (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide (CID 10473297) is (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide.
What is the SMILES notation for (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide?
The canonical SMILES for (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide is Br.CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1.
What is the InChIKey of (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide?
The InChIKey is UIVCTAQSQDLCFC-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H23N3O.BrH/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14;/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20);1H/t13-;/m1./s1.
What are the key properties of (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide?
(10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide has a molecular weight of 354.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(dipropylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;hydrobromide is sourced from PubChem (CID 10473297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).