1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide

C14H12N4O — CID 69293233

IUPAC1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide
SMILESNC(=O)C1=CN2C=C3N(C=C2C=C1)C=C1C=CCN13
InChIInChI=1S/C14H12N4O/c15-14(19)10-3-4-11-7-17-8-12-2-1-5-18(12)13(17)9-16(11)6-10/h1-4,6-9H,5H2,(H2,15,19)
InChIKeyWHHKTPDAWDQDKG-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.91
Rot. Bonds1

About 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide

1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide (PubChem CID 69293233) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide.

Molecular Properties

Compound Name1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide
PubChem CID69293233
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide
SMILESNC(=O)C1=CN2C=C3N(C=C2C=C1)C=C1C=CCN13
InChIInChI=1S/C14H12N4O/c15-14(19)10-3-4-11-7-17-8-12-2-1-5-18(12)13(17)9-16(11)6-10/h1-4,6-9H,5H2,(H2,15,19)
InChIKeyWHHKTPDAWDQDKG-UHFFFAOYSA-N
XLogP0.91
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide?
The IUPAC name of 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide (CID 69293233) is 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide.
What is the SMILES notation for 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide?
The canonical SMILES for 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide is NC(=O)C1=CN2C=C3N(C=C2C=C1)C=C1C=CCN13.
What is the InChIKey of 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide?
The InChIKey is WHHKTPDAWDQDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-14(19)10-3-4-11-7-17-8-12-2-1-5-18(12)13(17)9-16(11)6-10/h1-4,6-9H,5H2,(H2,15,19).
What are the key properties of 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide?
1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide is sourced from PubChem (CID 69293233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).