(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone

C15H23N5O — CID 62177839

IUPAC(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
SMILESCCCNc1ccc(C(=O)N2CCN(C3CC3)CC2)nn1
InChIInChI=1S/C15H23N5O/c1-2-7-16-14-6-5-13(17-18-14)15(21)20-10-8-19(9-11-20)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3,(H,16,18)
InChIKeyNERGDQXBMFGJAP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.22
Rot. Bonds5

About (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone

(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone (PubChem CID 62177839) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
PubChem CID62177839
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
SMILESCCCNc1ccc(C(=O)N2CCN(C3CC3)CC2)nn1
InChIInChI=1S/C15H23N5O/c1-2-7-16-14-6-5-13(17-18-14)15(21)20-10-8-19(9-11-20)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3,(H,16,18)
InChIKeyNERGDQXBMFGJAP-UHFFFAOYSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
N-(1-cyclopropylpyrrolidin-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62174598
(2,6-dimethylpiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62173358
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83046126
[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109110625
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
(3-methylmorpholin-4-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62169207
[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone
CID 62204390
(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109110976

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone (CID 62177839) is (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone is CCCNc1ccc(C(=O)N2CCN(C3CC3)CC2)nn1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone?
The InChIKey is NERGDQXBMFGJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-7-16-14-6-5-13(17-18-14)15(21)20-10-8-19(9-11-20)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3,(H,16,18).
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone?
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 62177839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).