1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide

C15H12N4O — CID 152649173

IUPAC1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide
SMILESNC(=O)C1=CN2C=C3N(C=C2C=C1)C=C1C=CC=CN13
InChIInChI=1S/C15H12N4O/c16-15(20)11-4-5-12-8-18-9-13-3-1-2-6-19(13)14(18)10-17(12)7-11/h1-10H,(H2,16,20)
InChIKeyZHEQZIXGBKYWMY-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.42
Rot. Bonds1

About 1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide

1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide (PubChem CID 152649173) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide.

Molecular Properties

Compound Name1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide
PubChem CID152649173
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide
SMILESNC(=O)C1=CN2C=C3N(C=C2C=C1)C=C1C=CC=CN13
InChIInChI=1S/C15H12N4O/c16-15(20)11-4-5-12-8-18-9-13-3-1-2-6-19(13)14(18)10-17(12)7-11/h1-10H,(H2,16,20)
InChIKeyZHEQZIXGBKYWMY-UHFFFAOYSA-N
XLogP1.42
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
CID 54091461
1H-pyrido[1,2-c]pyrido[1',2':4,5]pyrazino[1,2-a]pyrimidine-11-carboxamide
CID 66594635
1,8,11-Triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,12,15-hexaene-6-carboxamide
CID 69293232
1,8,11-Triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide
CID 69293233
6H-quinolizine-3-carboxamide
CID 87288698
2,4-Dimethylindolizin-4-ium-6-carboxamide
CID 87601046
1,4-Diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide
CID 91609192
1,2,9-Triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide
CID 151180497
N-methyl-2,3-dihydroimidazo[1,5-a]pyridine-6-carboxamide
CID 153765265
1,4,7-Triazatricyclo[7.4.0.02,7]trideca-2,4,8,10,12-pentaene-12-carboxamide
CID 153871828
1,10,11-Triazatetracyclo[8.7.1.03,8.011,16]octadeca-2,4,6,8,12,14,16-heptaene-13-carboxamide
CID 164590481
3,10,17-Triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,4,6,8,11(15),13,16-heptaene-5-carboxamide
CID 164809828

Frequently Asked Questions

What is the IUPAC name of 1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide?
The IUPAC name of 1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide (CID 152649173) is 1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide.
What is the SMILES notation for 1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide?
The canonical SMILES for 1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide is NC(=O)C1=CN2C=C3N(C=C2C=C1)C=C1C=CC=CN13.
What is the InChIKey of 1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide?
The InChIKey is ZHEQZIXGBKYWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-15(20)11-4-5-12-8-18-9-13-3-1-2-6-19(13)14(18)10-17(12)7-11/h1-10H,(H2,16,20).
What are the key properties of 1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide?
1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.42, 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[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide is sourced from PubChem (CID 152649173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).