5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one

C10H14ClN3O2 — CID 47407222

IUPAC5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCC2CCCCO2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-9-8(6-13-14-10(9)15)12-5-7-3-1-2-4-16-7/h6-7H,1-5H2,(H2,12,14,15)
InChIKeyINJUAMZRICWECN-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.40
Rot. Bonds3

About 5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one

5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one (PubChem CID 47407222) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one
PubChem CID47407222
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCC2CCCCO2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-9-8(6-13-14-10(9)15)12-5-7-3-1-2-4-16-7/h6-7H,1-5H2,(H2,12,14,15)
InChIKeyINJUAMZRICWECN-UHFFFAOYSA-N
XLogP1.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 78952462
5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
CID 79003228
5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 113233659
5-nitro-N-(oxolan-2-ylmethyl)-1H-pyrazol-4-amine
CID 82238079
2-butyl-4-chloro-5-(oxan-2-ylmethylamino)pyridazin-3-one
CID 114436083
N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine
CID 166385524
5-chloro-4-(cyclobutylamino)-1H-pyridazin-6-one
CID 78950467
2,5-dichloro-4-methyl-N-(oxan-2-ylmethyl)aniline
CID 104726778
5-methyl-4-[4-(oxolan-2-ylmethylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 159802367
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
5-bromo-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956337
6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
CID 99869074

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one (CID 47407222) is 5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NCC2CCCCO2)c1Cl.
What is the InChIKey of 5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one?
The InChIKey is INJUAMZRICWECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-9-8(6-13-14-10(9)15)12-5-7-3-1-2-4-16-7/h6-7H,1-5H2,(H2,12,14,15).
What are the key properties of 5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one?
5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 47407222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).