(6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

C13H17ClN4O — CID 61052571

IUPAC(6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nn1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H17ClN4O/c14-12-4-3-11(15-16-12)13(19)18-7-5-17(6-8-18)9-10-1-2-10/h3-4,10H,1-2,5-9H2
InChIKeySULDQLQWKKKHDE-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.30
Rot. Bonds3

About (6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

(6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (PubChem CID 61052571) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
PubChem CID61052571
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name(6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nn1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H17ClN4O/c14-12-4-3-11(15-16-12)13(19)18-7-5-17(6-8-18)9-10-1-2-10/h3-4,10H,1-2,5-9H2
InChIKeySULDQLQWKKKHDE-UHFFFAOYSA-N
XLogP1.30
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 61053224
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
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641069
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62234566
(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974873
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 61051450
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
[4-(cyclopropylmethyl)piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 84586833
(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408589
(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61108944

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (CID 61052571) is (6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)nn1)N1CCN(CC2CC2)CC1.
What is the InChIKey of (6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The InChIKey is SULDQLQWKKKHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c14-12-4-3-11(15-16-12)13(19)18-7-5-17(6-8-18)9-10-1-2-10/h3-4,10H,1-2,5-9H2.
What are the key properties of (6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
(6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone has a molecular weight of 280.76 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61052571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).