1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol

C14H24N2O2 — CID 139404880

IUPAC1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol
SMILESCC(O)C1=NNC(C(C)O)=C2CCCCCCC12
InChIInChI=1S/C14H24N2O2/c1-9(17)13-11-7-5-3-4-6-8-12(11)14(10(2)18)16-15-13/h9-11,16-18H,3-8H2,1-2H3
InChIKeyDHEQPBYRFMVJAM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.93
Rot. Bonds2

About 1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol

1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol (PubChem CID 139404880) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol
PubChem CID139404880
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol
SMILESCC(O)C1=NNC(C(C)O)=C2CCCCCCC12
InChIInChI=1S/C14H24N2O2/c1-9(17)13-11-7-5-3-4-6-8-12(11)14(10(2)18)16-15-13/h9-11,16-18H,3-8H2,1-2H3
InChIKeyDHEQPBYRFMVJAM-UHFFFAOYSA-N
XLogP1.93
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol?
The IUPAC name of 1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol (CID 139404880) is 1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol?
The canonical SMILES for 1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol is CC(O)C1=NNC(C(C)O)=C2CCCCCCC12.
What is the InChIKey of 1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol?
The InChIKey is DHEQPBYRFMVJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(17)13-11-7-5-3-4-6-8-12(11)14(10(2)18)16-15-13/h9-11,16-18H,3-8H2,1-2H3.
What are the key properties of 1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol?
1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-1-yl]ethanol is sourced from PubChem (CID 139404880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).