8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one

C18H21N5O2 — CID 137029575

IUPAC8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C18H21N5O2/c19-17-14(9-13(21-22-17)12-3-1-2-4-15(12)24)23-7-5-18(6-8-23)10-16(25)20-11-18/h1-4,9,24H,5-8,10-11H2,(H2,19,22)(H,20,25)
InChIKeyGJHSRZQKZYKIBY-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.54
Rot. Bonds2

About 8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one

8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 137029575) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID137029575
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C18H21N5O2/c19-17-14(9-13(21-22-17)12-3-1-2-4-15(12)24)23-7-5-18(6-8-23)10-16(25)20-11-18/h1-4,9,24H,5-8,10-11H2,(H2,19,22)(H,20,25)
InChIKeyGJHSRZQKZYKIBY-UHFFFAOYSA-N
XLogP1.54
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol
CID 139546200
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
CID 137029448
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]benzaldehyde
CID 155390949
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538
2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 137029537
1-[(2R,6R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,6-dimethylpiperazin-1-yl]ethanone
CID 137029449
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961

Frequently Asked Questions

What is the IUPAC name of 8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one (CID 137029575) is 8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one is Nc1nnc(-c2ccccc2O)cc1N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GJHSRZQKZYKIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c19-17-14(9-13(21-22-17)12-3-1-2-4-15(12)24)23-7-5-18(6-8-23)10-16(25)20-11-18/h1-4,9,24H,5-8,10-11H2,(H2,19,22)(H,20,25).
What are the key properties of 8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?
8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 339.40 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 137029575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).