5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one

C11H16ClN3O2 — CID 112753380

IUPAC5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCC(CO)CC2)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-10-9(5-13-15-11(10)17)14-8-3-1-7(6-16)2-4-8/h5,7-8,16H,1-4,6H2,(H2,14,15,17)
InChIKeyPUVYSBHYPNHFBT-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.39
Rot. Bonds3

About 5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one

5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one (PubChem CID 112753380) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one
PubChem CID112753380
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCC(CO)CC2)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-10-9(5-13-15-11(10)17)14-8-3-1-7(6-16)2-4-8/h5,7-8,16H,1-4,6H2,(H2,14,15,17)
InChIKeyPUVYSBHYPNHFBT-UHFFFAOYSA-N
XLogP1.39
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(4-hydroxycyclohexyl)amino]-1H-pyridazin-6-one
CID 78913346
5-chloro-4-(cyclobutylamino)-1H-pyridazin-6-one
CID 78950467
5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one
CID 134038847
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
CID 106996144
5-chloro-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyridazin-6-one
CID 78997179
5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one
CID 133473763
5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one
CID 97209139
5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one
CID 114504898
5-chloro-4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1H-pyridazin-6-one
CID 80747439
5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
CID 79003228
5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one
CID 106842784
5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one
CID 75539652

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one (CID 112753380) is 5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one is O=c1[nH]ncc(NC2CCC(CO)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one?
The InChIKey is PUVYSBHYPNHFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-10-9(5-13-15-11(10)17)14-8-3-1-7(6-16)2-4-8/h5,7-8,16H,1-4,6H2,(H2,14,15,17).
What are the key properties of 5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one?
5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 112753380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).