(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

C11H14ClN3O2 — CID 55152774

IUPAC(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)nn2)CCCO1
InChIInChI=1S/C11H14ClN3O2/c1-8-7-15(5-2-6-17-8)11(16)9-3-4-10(12)14-13-9/h3-4,8H,2,5-7H2,1H3
InChIKeyHUAIJDQYXCLYAN-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.38
Rot. Bonds1

About (6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 55152774) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID55152774
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)nn2)CCCO1
InChIInChI=1S/C11H14ClN3O2/c1-8-7-15(5-2-6-17-8)11(16)9-3-4-10(12)14-13-9/h3-4,8H,2,5-7H2,1H3
InChIKeyHUAIJDQYXCLYAN-UHFFFAOYSA-N
XLogP1.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloropyridazin-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 60857887
(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974873
4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile
CID 79674643
(1-chloroisoquinolin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62974868
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 61051093
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-chloropyridazin-3-yl)methanone
CID 60859360
(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
CID 94908396
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 104641208
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 55152774) is (6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone is CC1CN(C(=O)c2ccc(Cl)nn2)CCCO1.
What is the InChIKey of (6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is HUAIJDQYXCLYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-8-7-15(5-2-6-17-8)11(16)9-3-4-10(12)14-13-9/h3-4,8H,2,5-7H2,1H3.
What are the key properties of (6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 255.70 g/mol, XLogP of 1.38, 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)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 55152774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).