(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile

C17H19N3 — CID 19879767

IUPAC(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile
SMILESCC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41C)N2C#N
InChIInChI=1S/C17H19N3/c1-11-16-8-13-12-4-3-7-19-9-17(11,2)14(12)5-6-15(13)20(16)10-18/h3-4,9,11,16H,5-8H2,1-2H3/b4-3-,19-9-
InChIKeyPWWYZRIVDKRVSF-QHFPZLQISA-N
MW265.36 g/mol
LogP3.18
Rot. Bonds

About (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile

(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile (PubChem CID 19879767) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile.

Molecular Properties

Compound Name(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile
PubChem CID19879767
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile
SMILESCC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41C)N2C#N
InChIInChI=1S/C17H19N3/c1-11-16-8-13-12-4-3-7-19-9-17(11,2)14(12)5-6-15(13)20(16)10-18/h3-4,9,11,16H,5-8H2,1-2H3/b4-3-,19-9-
InChIKeyPWWYZRIVDKRVSF-QHFPZLQISA-N
XLogP3.18
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile?
The IUPAC name of (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile (CID 19879767) is (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile.
What is the SMILES notation for (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile?
The canonical SMILES for (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile is CC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41C)N2C#N.
What is the InChIKey of (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile?
The InChIKey is PWWYZRIVDKRVSF-QHFPZLQISA-N. The full InChI is InChI=1S/C17H19N3/c1-11-16-8-13-12-4-3-7-19-9-17(11,2)14(12)5-6-15(13)20(16)10-18/h3-4,9,11,16H,5-8H2,1-2H3/b4-3-,19-9-.
What are the key properties of (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile?
(5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene-15-carbonitrile is sourced from PubChem (CID 19879767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).