15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one

C15H12N4O — CID 135513803

IUPAC15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one
SMILESNc1nc2nc3c(cc2c(=O)[nH]1)CCc1ccccc1-3
InChIInChI=1S/C15H12N4O/c16-15-18-13-11(14(20)19-15)7-9-6-5-8-3-1-2-4-10(8)12(9)17-13/h1-4,7H,5-6H2,(H3,16,17,18,19,20)
InChIKeyBECDIWBGYRERAY-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.67
Rot. Bonds

About 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one

15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one (PubChem CID 135513803) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one.

Molecular Properties

Compound Name15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one
PubChem CID135513803
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one
SMILESNc1nc2nc3c(cc2c(=O)[nH]1)CCc1ccccc1-3
InChIInChI=1S/C15H12N4O/c16-15-18-13-11(14(20)19-15)7-9-6-5-8-3-1-2-4-10(8)12(9)17-13/h1-4,7H,5-6H2,(H3,16,17,18,19,20)
InChIKeyBECDIWBGYRERAY-UHFFFAOYSA-N
XLogP1.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one with MolForge

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Related Compounds

15-sulfanylidene-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17)-hexaen-13-one
CID 10755271
14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine;hydrochloride
CID 134093989
14-methyl-15-methylsulfanyl-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one
CID 10614846
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CID 102409116
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CID 136626730
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Frequently Asked Questions

What is the IUPAC name of 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one?
The IUPAC name of 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one (CID 135513803) is 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one.
What is the SMILES notation for 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one?
The canonical SMILES for 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one is Nc1nc2nc3c(cc2c(=O)[nH]1)CCc1ccccc1-3.
What is the InChIKey of 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one?
The InChIKey is BECDIWBGYRERAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-15-18-13-11(14(20)19-15)7-9-6-5-8-3-1-2-4-10(8)12(9)17-13/h1-4,7H,5-6H2,(H3,16,17,18,19,20).
What are the key properties of 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one?
15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one has a molecular weight of 264.29 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one is sourced from PubChem (CID 135513803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).