(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

C13H21N5O — CID 55158606

IUPAC(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(N)nn2)C1
InChIInChI=1S/C13H21N5O/c1-3-17(4-2)10-7-8-18(9-10)13(19)11-5-6-12(14)16-15-11/h5-6,10H,3-4,7-9H2,1-2H3,(H2,14,16)
InChIKeyCXPUFNVIBZSLIP-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.62
Rot. Bonds4

About (6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 55158606) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID55158606
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(N)nn2)C1
InChIInChI=1S/C13H21N5O/c1-3-17(4-2)10-7-8-18(9-10)13(19)11-5-6-12(14)16-15-11/h5-6,10H,3-4,7-9H2,1-2H3,(H2,14,16)
InChIKeyCXPUFNVIBZSLIP-UHFFFAOYSA-N
XLogP0.62
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63724060
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63525317
(6-aminopyridazin-3-yl)-(4-tert-butylpiperidin-1-yl)methanone
CID 55042129
(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63175300
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 104742285
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 107498501
(3-aminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843269
2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 55160891

Frequently Asked Questions

What is the IUPAC name of (6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 55158606) is (6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2ccc(N)nn2)C1.
What is the InChIKey of (6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is CXPUFNVIBZSLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-17(4-2)10-7-8-18(9-10)13(19)11-5-6-12(14)16-15-11/h5-6,10H,3-4,7-9H2,1-2H3,(H2,14,16).
What are the key properties of (6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 0.62, 4 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-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55158606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).