(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C10H10ClN3O — CID 114408589

IUPAC(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nn1)N1CC=CCC1
InChIInChI=1S/C10H10ClN3O/c11-9-5-4-8(12-13-9)10(15)14-6-2-1-3-7-14/h1-2,4-5H,3,6-7H2
InChIKeyJDTISYXNSXNWCU-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.53
Rot. Bonds1

About (6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114408589) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114408589
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nn1)N1CC=CCC1
InChIInChI=1S/C10H10ClN3O/c11-9-5-4-8(12-13-9)10(15)14-6-2-1-3-7-14/h1-2,4-5H,3,6-7H2
InChIKeyJDTISYXNSXNWCU-UHFFFAOYSA-N
XLogP1.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-chloropyridazin-3-yl)methanone
CID 60859360
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974873
(6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 61053224
(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55152774
(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408574
(6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61052571
(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110678435
(6-chloropyridazin-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 60857887
4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile
CID 79674643
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 61051093
(6-chloropyridazin-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 54927051

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114408589) is (6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1ccc(Cl)nn1)N1CC=CCC1.
What is the InChIKey of (6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is JDTISYXNSXNWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-9-5-4-8(12-13-9)10(15)14-6-2-1-3-7-14/h1-2,4-5H,3,6-7H2.
What are the key properties of (6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 223.66 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114408589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).