(10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C14H19N3O — CID 127047870

IUPAC(10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCCN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1
InChIInChI=1S/C14H19N3O/c1-3-7-16(2)11-8-10-5-4-6-12-13(10)17(9-11)14(18)15-12/h4-6,11H,3,7-9H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeySLXIGTACOFFTMI-LLVKDONJSA-N
MW245.33 g/mol
LogP1.60
Rot. Bonds3

About (10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

(10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 127047870) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name(10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID127047870
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCCN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1
InChIInChI=1S/C14H19N3O/c1-3-7-16(2)11-8-10-5-4-6-12-13(10)17(9-11)14(18)15-12/h4-6,11H,3,7-9H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeySLXIGTACOFFTMI-LLVKDONJSA-N
XLogP1.60
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of (10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 127047870) is (10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for (10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for (10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is CCCN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1.
What is the InChIKey of (10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is SLXIGTACOFFTMI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-7-16(2)11-8-10-5-4-6-12-13(10)17(9-11)14(18)15-12/h4-6,11H,3,7-9H2,1-2H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
(10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-[methyl(propyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 127047870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).