5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one

C11H16ClN3O2 — CID 79003228

IUPAC5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
SMILESC1CCC(C(C1)CNC2=C(C(=O)NN=C2)Cl)O
InChIInChI=1S/C11H16ClN3O2/c12-10-8(6-14-15-11(10)17)13-5-7-3-1-2-4-9(7)16/h6-7,9,16H,1-5H2,(H2,13,15,17)
InChIKeyLTIGLKNETIGSEW-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.30
Rot. Bonds3

About 5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one

5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one (PubChem CID 79003228) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
PubChem CID79003228
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
SMILESC1CCC(C(C1)CNC2=C(C(=O)NN=C2)Cl)O
InChIInChI=1S/C11H16ClN3O2/c12-10-8(6-14-15-11(10)17)13-5-7-3-1-2-4-9(7)16/h6-7,9,16H,1-5H2,(H2,13,15,17)
InChIKeyLTIGLKNETIGSEW-UHFFFAOYSA-N
XLogP1.30
TPSA73.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity368

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one (CID 79003228) is 5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one is C1CCC(C(C1)CNC2=C(C(=O)NN=C2)Cl)O.
What is the InChIKey of 5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is LTIGLKNETIGSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-10-8(6-14-15-11(10)17)13-5-7-3-1-2-4-9(7)16/h6-7,9,16H,1-5H2,(H2,13,15,17).
What are the key properties of 5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 79003228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).