[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

C15H17N5O — CID 109111917

IUPAC[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2ccccn2)nn1)N1CCCC1
InChIInChI=1S/C15H17N5O/c21-15(20-9-3-4-10-20)13-6-7-14(19-18-13)17-11-12-5-1-2-8-16-12/h1-2,5-8H,3-4,9-11H2,(H,17,19)
InChIKeyATVOYRSBLHTSNY-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.72
Rot. Bonds4

About [6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109111917) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID109111917
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2ccccn2)nn1)N1CCCC1
InChIInChI=1S/C15H17N5O/c21-15(20-9-3-4-10-20)13-6-7-14(19-18-13)17-11-12-5-1-2-8-16-12/h1-2,5-8H,3-4,9-11H2,(H,17,19)
InChIKeyATVOYRSBLHTSNY-UHFFFAOYSA-N
XLogP1.72
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116940
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
CID 109182557
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249233
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone
CID 109119827
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804

Frequently Asked Questions

What is the IUPAC name of [6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (CID 109111917) is [6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(NCc2ccccn2)nn1)N1CCCC1.
What is the InChIKey of [6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ATVOYRSBLHTSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(20-9-3-4-10-20)13-6-7-14(19-18-13)17-11-12-5-1-2-8-16-12/h1-2,5-8H,3-4,9-11H2,(H,17,19).
What are the key properties of [6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 283.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109111917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).