16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one

C19H19N3O — CID 136744085

IUPAC16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one
SMILESCC12CCC(c3c1nc(=O)nc1[nH]c4ccccc4c31)C2(C)C
InChIInChI=1S/C19H19N3O/c1-18(2)11-8-9-19(18,3)15-14(11)13-10-6-4-5-7-12(10)20-16(13)22-17(23)21-15/h4-7,11H,8-9H2,1-3H3,(H,20,21,22,23)
InChIKeyJKYVYLRRUOPJLJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.65
Rot. Bonds

About 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one

16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one (PubChem CID 136744085) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one.

Molecular Properties

Compound Name16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one
PubChem CID136744085
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one
SMILESCC12CCC(c3c1nc(=O)nc1[nH]c4ccccc4c31)C2(C)C
InChIInChI=1S/C19H19N3O/c1-18(2)11-8-9-19(18,3)15-14(11)13-10-6-4-5-7-12(10)20-16(13)22-17(23)21-15/h4-7,11H,8-9H2,1-3H3,(H,20,21,22,23)
InChIKeyJKYVYLRRUOPJLJ-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one with MolForge

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Related Compounds

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CID 22489834
1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
CID 150532815
2-(1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-dien-4-yl)aniline
CID 103386655
1,10,10-trimethyl-5-naphthalen-1-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 140903797
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CID 90927855
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CID 103386651
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CID 102191438
benzene;bis(1,7,7-trimethyl-3-methylidenebicyclo[2.2.1]heptan-2-one)
CID 159226185
1,7,7-trimethyl-3-phenyliminobicyclo[2.2.1]heptan-2-one
CID 611586
4-(3,5-dimethylpiperidin-1-yl)-1,11,11-trimethyl-6-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 66492613
(3Z)-1,7,7-trimethyl-3-[[(Z)-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]sulfanylmethylidene]bicyclo[2.2.1]heptan-2-one
CID 5473319

Frequently Asked Questions

What is the IUPAC name of 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one?
The IUPAC name of 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one (CID 136744085) is 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one.
What is the SMILES notation for 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one?
The canonical SMILES for 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one is CC12CCC(c3c1nc(=O)nc1[nH]c4ccccc4c31)C2(C)C.
What is the InChIKey of 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one?
The InChIKey is JKYVYLRRUOPJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-18(2)11-8-9-19(18,3)15-14(11)13-10-6-4-5-7-12(10)20-16(13)22-17(23)21-15/h4-7,11H,8-9H2,1-3H3,(H,20,21,22,23).
What are the key properties of 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one?
16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one has a molecular weight of 305.38 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one is sourced from PubChem (CID 136744085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).