4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one

C14H22ClN3O2 — CID 114441321

IUPAC4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one
SMILESCCn1ncc(NCC2(CO)CCCCC2)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O2/c1-2-18-13(20)12(15)11(8-17-18)16-9-14(10-19)6-4-3-5-7-14/h8,16,19H,2-7,9-10H2,1H3
InChIKeyKPKWUGXLSRTAHX-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.27
Rot. Bonds5

About 4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one

4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one (PubChem CID 114441321) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one
PubChem CID114441321
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one
SMILESCCn1ncc(NCC2(CO)CCCCC2)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O2/c1-2-18-13(20)12(15)11(8-17-18)16-9-14(10-19)6-4-3-5-7-14/h8,16,19H,2-7,9-10H2,1H3
InChIKeyKPKWUGXLSRTAHX-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-propan-2-ylpyridazin-3-one
CID 114440727
4-chloro-5-[(1-cyclopropylcyclopropyl)methylamino]-2-ethylpyridazin-3-one
CID 114096448
4-chloro-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-ylpyridazin-3-one
CID 114440791
2-benzyl-4-chloro-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496774
4-bromo-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylpyridazin-3-one
CID 115682958
2-benzyl-4-chloro-5-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]pyridazin-3-one
CID 133399133
5-[2-(azepan-1-yl)ethylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114434960
4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115899027
4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 114440604
4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 114439303
4-chloro-5-[(1-hydroxycyclopentyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114439293
3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167431

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one (CID 114441321) is 4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one is CCn1ncc(NCC2(CO)CCCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one?
The InChIKey is KPKWUGXLSRTAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-2-18-13(20)12(15)11(8-17-18)16-9-14(10-19)6-4-3-5-7-14/h8,16,19H,2-7,9-10H2,1H3.
What are the key properties of 4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one?
4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one has a molecular weight of 299.80 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridazin-3-one is sourced from PubChem (CID 114441321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).