1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C12H18N2O4 — CID 62714636

IUPAC1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(C2CCCCCC2O)C(=O)CC1
InChIInChI=1S/C12H18N2O4/c15-10-5-3-1-2-4-9(10)14-11(16)7-6-8(13-14)12(17)18/h9-10,15H,1-7H2,(H,17,18)
InChIKeyCZWIWRPUZXYOHU-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.74
Rot. Bonds2

About 1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 62714636) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID62714636
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(C2CCCCCC2O)C(=O)CC1
InChIInChI=1S/C12H18N2O4/c15-10-5-3-1-2-4-9(10)14-11(16)7-6-8(13-14)12(17)18/h9-10,15H,1-7H2,(H,17,18)
InChIKeyCZWIWRPUZXYOHU-UHFFFAOYSA-N
XLogP0.74
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid
CID 62713916
2-(2-hydroxycycloheptyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 55105787
1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 25219455
1-(2-hydroxycyclohexyl)azepane-2,7-dione
CID 60884902
1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)azepane-2-carboxylic acid
CID 64559358
1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one
CID 86594081
2-[(1R,2R)-2-hydroxycyclohexyl]-5-(oxolan-3-yl)-4H-pyrazol-3-one
CID 167830612
2-(2-hydroxycycloheptyl)-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 106468617
6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
CID 3707613
(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 102280583
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
6-(4-cyclohexylpiperazine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 3997617

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 62714636) is 1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(C2CCCCCC2O)C(=O)CC1.
What is the InChIKey of 1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is CZWIWRPUZXYOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-10-5-3-1-2-4-9(10)14-11(16)7-6-8(13-14)12(17)18/h9-10,15H,1-7H2,(H,17,18).
What are the key properties of 1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycycloheptyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 62714636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).