5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one

C13H16N4O — CID 91738141

IUPAC5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one
SMILESNC1=NC(=O)c2c3c(nc(N)c21)CCCCCC3
InChIInChI=1S/C13H16N4O/c14-11-10-9(13(18)17-12(10)15)7-5-3-1-2-4-6-8(7)16-11/h1-6H2,(H2,14,16)(H2,15,17,18)
InChIKeySUJILLUYXKQIED-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.18
Rot. Bonds

About 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one

5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one (PubChem CID 91738141) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one.

Molecular Properties

Compound Name5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one
PubChem CID91738141
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one
SMILESNC1=NC(=O)c2c3c(nc(N)c21)CCCCCC3
InChIInChI=1S/C13H16N4O/c14-11-10-9(13(18)17-12(10)15)7-5-3-1-2-4-6-8(7)16-11/h1-6H2,(H2,14,16)(H2,15,17,18)
InChIKeySUJILLUYXKQIED-UHFFFAOYSA-N
XLogP1.18
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one with MolForge

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Related Compounds

4-Amino-7,8-dihydrocyclopenta[b]pyrrolo[3,4-d]pyridine-1,3(2H,6H)-dione
CID 608994
1H-Pyrrolo[3,4-C]pyridine-1,3(2H)-dione, 4-amino-6-methyl-7-propyl-
CID 686365
5-Amino-7-imino-4,8-diazatricyclo[7.5.0.0(2,6)]tetradeca-1(9),2(6),4-trien-3-one
CID 54612815
2-Amino-3-cyano-5,6-tetramethylenepyridine-4-carboxamide
CID 15312043
4-Amino-3-imino-3,6,7,8,9,10-hexahydrocyclo-hepta[b]pyrrolo[3,4-d]pyridine-1(2H)-one
CID 138376909
4-Amino-3-imino-2,3,6,7,8,9,10,11-octahydro-cycloocta[b]pyrrolo[3,4-d]pyridin-1-one
CID 138376942
1H-Pyrolo[3,4-c]pyridin-1-one, 3,4-diamino-6-methyl-
CID 600600
4-Amino-1-imino-6-methyl-2H,6H,7H,8H,9H-pyrrolo[3,4-c]quinolin-3-one
CID 91736644
2-Amino-4,5,6-trimethylpyridine-3-carboxamide
CID 15284244
2-Amino-5-ethyl-4,6-dimethylpyridine-3-carboxamide
CID 53309407
2-Amino-6-ethyl-4-methylpyridine-3-carboxamide
CID 53309408
5-Butyl-4-methyl-2,6-bis(methylamino)pyridine-3-carboxamide
CID 123953531

Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one?
The IUPAC name of 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one (CID 91738141) is 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one.
What is the SMILES notation for 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one?
The canonical SMILES for 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one is NC1=NC(=O)c2c3c(nc(N)c21)CCCCCC3.
What is the InChIKey of 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one?
The InChIKey is SUJILLUYXKQIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-11-10-9(13(18)17-12(10)15)7-5-3-1-2-4-6-8(7)16-11/h1-6H2,(H2,14,16)(H2,15,17,18).
What are the key properties of 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one?
5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one has a molecular weight of 244.30 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diamino-4,8-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),4,7-tetraen-3-one is sourced from PubChem (CID 91738141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).