4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one

C15H14N4O — CID 71120845

IUPAC4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one
SMILESNc1cc2c(ccc3c4c([nH]c32)CCCNC4=O)cn1
InChIInChI=1S/C15H14N4O/c16-12-6-10-8(7-18-12)3-4-9-13-11(19-14(9)10)2-1-5-17-15(13)20/h3-4,6-7,19H,1-2,5H2,(H2,16,18)(H,17,20)
InChIKeyYVKMRORUARCHEK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.97
Rot. Bonds

About 4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one

4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one (PubChem CID 71120845) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one.

Molecular Properties

Compound Name4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one
PubChem CID71120845
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one
SMILESNc1cc2c(ccc3c4c([nH]c32)CCCNC4=O)cn1
InChIInChI=1S/C15H14N4O/c16-12-6-10-8(7-18-12)3-4-9-13-11(19-14(9)10)2-1-5-17-15(13)20/h3-4,6-7,19H,1-2,5H2,(H2,16,18)(H,17,20)
InChIKeyYVKMRORUARCHEK-UHFFFAOYSA-N
XLogP1.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one?
The IUPAC name of 4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one (CID 71120845) is 4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one.
What is the SMILES notation for 4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one?
The canonical SMILES for 4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one is Nc1cc2c(ccc3c4c([nH]c32)CCCNC4=O)cn1.
What is the InChIKey of 4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one?
The InChIKey is YVKMRORUARCHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-12-6-10-8(7-18-12)3-4-9-13-11(19-14(9)10)2-1-5-17-15(13)20/h3-4,6-7,19H,1-2,5H2,(H2,16,18)(H,17,20).
What are the key properties of 4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one?
4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one has a molecular weight of 266.30 g/mol, XLogP of 1.97, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one is sourced from PubChem (CID 71120845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).