(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone

C10H12ClN3O2 — CID 62974873

IUPAC(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
SMILESO=C(c1ccc(Cl)nn1)N1CCCOCC1
InChIInChI=1S/C10H12ClN3O2/c11-9-3-2-8(12-13-9)10(15)14-4-1-6-16-7-5-14/h2-3H,1,4-7H2
InChIKeyKIQIFNPFLDFIQI-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.99
Rot. Bonds1

About (6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone

(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 62974873) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
PubChem CID62974873
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
SMILESO=C(c1ccc(Cl)nn1)N1CCCOCC1
InChIInChI=1S/C10H12ClN3O2/c11-9-3-2-8(12-13-9)10(15)14-4-1-6-16-7-5-14/h2-3H,1,4-7H2
InChIKeyKIQIFNPFLDFIQI-UHFFFAOYSA-N
XLogP0.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55152774
(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 106551253
(6-chloropyridazin-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 60857887
[6-(methylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 62172695
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile
CID 79674643
(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408589
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
[5-(methylamino)-2-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 113436167
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
[6-(cyclohexylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109112814
(6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61052571

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone (CID 62974873) is (6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone is O=C(c1ccc(Cl)nn1)N1CCCOCC1.
What is the InChIKey of (6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is KIQIFNPFLDFIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-9-3-2-8(12-13-9)10(15)14-4-1-6-16-7-5-14/h2-3H,1,4-7H2.
What are the key properties of (6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone?
(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 241.68 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62974873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).