(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C13H19N5O — CID 63175300

IUPAC(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(N3CCCC3)C2)nn1
InChIInChI=1S/C13H19N5O/c14-12-4-3-11(15-16-12)13(19)18-8-5-10(9-18)17-6-1-2-7-17/h3-4,10H,1-2,5-9H2,(H2,14,16)
InChIKeyONXGRVGKXPTPRD-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.37
Rot. Bonds2

About (6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 63175300) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID63175300
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(N3CCCC3)C2)nn1
InChIInChI=1S/C13H19N5O/c14-12-4-3-11(15-16-12)13(19)18-8-5-10(9-18)17-6-1-2-7-17/h3-4,10H,1-2,5-9H2,(H2,14,16)
InChIKeyONXGRVGKXPTPRD-UHFFFAOYSA-N
XLogP0.37
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119999249
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 95026394
(6-aminopyridazin-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79945203
(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158606
(6-aminopyridazin-3-yl)-(4-tert-butylpiperidin-1-yl)methanone
CID 55042129
(2-amino-3-pyridinyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174890
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
(4-amino-3-hydroxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107075245
(2-methyl-1,3-thiazol-4-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110465363
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167078
(5-amino-2-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168605

Frequently Asked Questions

What is the IUPAC name of (6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 63175300) is (6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is Nc1ccc(C(=O)N2CCC(N3CCCC3)C2)nn1.
What is the InChIKey of (6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is ONXGRVGKXPTPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c14-12-4-3-11(15-16-12)13(19)18-8-5-10(9-18)17-6-1-2-7-17/h3-4,10H,1-2,5-9H2,(H2,14,16).
What are the key properties of (6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 261.33 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63175300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).