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

C14H21ClN4O — CID 61053224

IUPAC(6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C14H21ClN4O/c1-11(2)5-6-18-7-9-19(10-8-18)14(20)12-3-4-13(15)17-16-12/h3-4,11H,5-10H2,1-2H3
InChIKeyWAYZIIDVXJTKSB-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.93
Rot. Bonds4

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

(6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone (PubChem CID 61053224) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
PubChem CID61053224
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name(6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)c2ccc(Cl)nn2)CC1
InChIInChI=1S/C14H21ClN4O/c1-11(2)5-6-18-7-9-19(10-8-18)14(20)12-3-4-13(15)17-16-12/h3-4,11H,5-10H2,1-2H3
InChIKeyWAYZIIDVXJTKSB-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-2-pyridinyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 62233300
(6-chloropyridazin-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61052571
(2,6-dichloro-4-pyridinyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 61053042
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408589
(2,6-dimethoxyphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074998
(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974873
(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109110976
(6-chloropyridazin-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 60857887
(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110678435
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone (CID 61053224) is (6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone is CC(C)CCN1CCN(C(=O)c2ccc(Cl)nn2)CC1.
What is the InChIKey of (6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The InChIKey is WAYZIIDVXJTKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-11(2)5-6-18-7-9-19(10-8-18)14(20)12-3-4-13(15)17-16-12/h3-4,11H,5-10H2,1-2H3.
What are the key properties of (6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
(6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone has a molecular weight of 296.80 g/mol, XLogP of 1.93, 4 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-(3-methylbutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61053224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).