[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

C16H18N4O — CID 109111903

IUPAC[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2ccccc2)nn1)N1CCCC1
InChIInChI=1S/C16H18N4O/c21-16(20-10-4-5-11-20)14-8-9-15(19-18-14)17-12-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,17,19)
InChIKeyWOWCSUMIKVMGAY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.32
Rot. Bonds4

About [6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109111903) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID109111903
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2ccccc2)nn1)N1CCCC1
InChIInChI=1S/C16H18N4O/c21-16(20-10-4-5-11-20)14-8-9-15(19-18-14)17-12-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,17,19)
InChIKeyWOWCSUMIKVMGAY-UHFFFAOYSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone
CID 109119827
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917
[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109117736
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112658
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996

Frequently Asked Questions

What is the IUPAC name of [6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (CID 109111903) is [6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(NCc2ccccc2)nn1)N1CCCC1.
What is the InChIKey of [6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WOWCSUMIKVMGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(20-10-4-5-11-20)14-8-9-15(19-18-14)17-12-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,17,19).
What are the key properties of [6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 282.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109111903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).