5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one

C12H14N4O — CID 54612815

IUPAC5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one
SMILESNC1=NC(=O)c2c3c(nc(N)c21)CCCCC3
InChIInChI=1S/C12H14N4O/c13-10-9-8(12(17)16-11(9)14)6-4-2-1-3-5-7(6)15-10/h1-5H2,(H2,13,15)(H2,14,16,17)
InChIKeyUCHGPEZHXOVNKZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.79
Rot. Bonds

About 5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one

5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one (PubChem CID 54612815) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one.

Molecular Properties

Compound Name5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one
PubChem CID54612815
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one
SMILESNC1=NC(=O)c2c3c(nc(N)c21)CCCCC3
InChIInChI=1S/C12H14N4O/c13-10-9-8(12(17)16-11(9)14)6-4-2-1-3-5-7(6)15-10/h1-5H2,(H2,13,15)(H2,14,16,17)
InChIKeyUCHGPEZHXOVNKZ-UHFFFAOYSA-N
XLogP0.79
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
2-Amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide
CID 3756204
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
3-Amino-1-(trifluoromethyl)-6,7,8,9-tetrahydro-5h-cyclohepta[c]pyridine-4-carbaldehyde
CID 164663662
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
7-Amino-5-imino-4,8-diazatricyclo[7.6.0.0{2,6}]pentadeca-1(9),2(6),7-trien-3-one
CID 91738141
2-Amino-4,5,6-trimethylpyridine-3-carboxamide
CID 15284244
2-Amino-6-ethyl-5-methylpyridine-3-carboxamide
CID 15284245

Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one?
The IUPAC name of 5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one (CID 54612815) is 5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one.
What is the SMILES notation for 5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one?
The canonical SMILES for 5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one is NC1=NC(=O)c2c3c(nc(N)c21)CCCCC3.
What is the InChIKey of 5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one?
The InChIKey is UCHGPEZHXOVNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-10-9-8(12(17)16-11(9)14)6-4-2-1-3-5-7(6)15-10/h1-5H2,(H2,13,15)(H2,14,16,17).
What are the key properties of 5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one?
5,7-diamino-4,8-diazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one has a molecular weight of 230.27 g/mol, XLogP of 0.79, 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[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-3-one is sourced from PubChem (CID 54612815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).