7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide

C14H10N4O2 — CID 19691060

IUPAC7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide
SMILESNC(=O)c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1C3
InChIInChI=1S/C14H10N4O2/c15-12(19)9-6-18-10-5-7-3-1-2-4-8(7)11(10)17-14(20)13(18)16-9/h1-4,6H,5H2,(H2,15,19)(H,17,20)
InChIKeyNAUZZYIWKIXOQD-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.69
Rot. Bonds1

About 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide

7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide (PubChem CID 19691060) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide.

Molecular Properties

Compound Name7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide
PubChem CID19691060
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide
SMILESNC(=O)c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1C3
InChIInChI=1S/C14H10N4O2/c15-12(19)9-6-18-10-5-7-3-1-2-4-8(7)11(10)17-14(20)13(18)16-9/h1-4,6H,5H2,(H2,15,19)(H,17,20)
InChIKeyNAUZZYIWKIXOQD-UHFFFAOYSA-N
XLogP0.69
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide?
The IUPAC name of 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide (CID 19691060) is 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide.
What is the SMILES notation for 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide?
The canonical SMILES for 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide is NC(=O)c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1C3.
What is the InChIKey of 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide?
The InChIKey is NAUZZYIWKIXOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c15-12(19)9-6-18-10-5-7-3-1-2-4-8(7)11(10)17-14(20)13(18)16-9/h1-4,6H,5H2,(H2,15,19)(H,17,20).
What are the key properties of 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide?
7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide is sourced from PubChem (CID 19691060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).