1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one

C12H12N4O — CID 86575799

IUPAC1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one
SMILESCCn1c2ccccc2c2c(N)n[nH]c(=O)c21
InChIInChI=1S/C12H12N4O/c1-2-16-8-6-4-3-5-7(8)9-10(16)12(17)15-14-11(9)13/h3-6H,2H2,1H3,(H2,13,14)(H,15,17)
InChIKeySJOUEALCPAYROX-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.48
Rot. Bonds1

About 1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one

1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one (PubChem CID 86575799) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one
PubChem CID86575799
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one
SMILESCCn1c2ccccc2c2c(N)n[nH]c(=O)c21
InChIInChI=1S/C12H12N4O/c1-2-16-8-6-4-3-5-7(8)9-10(16)12(17)15-14-11(9)13/h3-6H,2H2,1H3,(H2,13,14)(H,15,17)
InChIKeySJOUEALCPAYROX-UHFFFAOYSA-N
XLogP1.48
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1,2-dihydropyrazolo[4,3-b]indol-3-one
CID 168942784
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide
CID 154494644
1-ethylquinazoline-2,4-dione
CID 825310
4-ethyl-1H-pyrazolo[4,5-b]indole-3-carbonitrile
CID 168942732
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 13329158
4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one
CID 10105141
9,18-diethyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 159952707
3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one
CID 131848680
9-amino-5-ethylphenanthridin-6-one
CID 10399308

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one?
The IUPAC name of 1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one (CID 86575799) is 1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one is CCn1c2ccccc2c2c(N)n[nH]c(=O)c21.
What is the InChIKey of 1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one?
The InChIKey is SJOUEALCPAYROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-2-16-8-6-4-3-5-7(8)9-10(16)12(17)15-14-11(9)13/h3-6H,2H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one?
1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one has a molecular weight of 228.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 86575799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).