2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C16H25N3O2 — CID 126923385

IUPAC2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1CC1(O)CCCCC1
InChIInChI=1S/C16H25N3O2/c20-15-7-4-10-17-19(15)12-14-6-5-11-18(14)13-16(21)8-2-1-3-9-16/h4,7,10,14,21H,1-3,5-6,8-9,11-13H2
InChIKeyDYBKWCSMENRHJT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.40
Rot. Bonds4

About 2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923385) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923385
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1CC1(O)CCCCC1
InChIInChI=1S/C16H25N3O2/c20-15-7-4-10-17-19(15)12-14-6-5-11-18(14)13-16(21)8-2-1-3-9-16/h4,7,10,14,21H,1-3,5-6,8-9,11-13H2
InChIKeyDYBKWCSMENRHJT-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923385) is 2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CCCN1CC1(O)CCCCC1.
What is the InChIKey of 2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is DYBKWCSMENRHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-15-7-4-10-17-19(15)12-14-6-5-11-18(14)13-16(21)8-2-1-3-9-16/h4,7,10,14,21H,1-3,5-6,8-9,11-13H2.
What are the key properties of 2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 291.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).