(2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone

C15H19N5O — CID 167834987

IUPAC(2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone
SMILESC#CC1CCCN1C(=O)c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C15H19N5O/c1-2-12-4-3-9-20(12)15(21)13-5-6-14(18-17-13)19-10-7-16-8-11-19/h1,5-6,12,16H,3-4,7-11H2
InChIKeyUXSQZPVOSPWJDE-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.12
Rot. Bonds2

About (2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone

(2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone (PubChem CID 167834987) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name(2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone
PubChem CID167834987
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone
SMILESC#CC1CCCN1C(=O)c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C15H19N5O/c1-2-12-4-3-9-20(12)15(21)13-5-6-14(18-17-13)19-10-7-16-8-11-19/h1,5-6,12,16H,3-4,7-11H2
InChIKeyUXSQZPVOSPWJDE-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3-ethynylpiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 126821251
[2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119634141
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124569587
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95278877
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 94750784
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119381184
[(3R)-3-(methylamino)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124587818
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95759732
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide
CID 157465812

Frequently Asked Questions

What is the IUPAC name of (2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of (2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone (CID 167834987) is (2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for (2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for (2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone is C#CC1CCCN1C(=O)c1ccc(N2CCNCC2)nn1.
What is the InChIKey of (2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone?
The InChIKey is UXSQZPVOSPWJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-12-4-3-9-20(12)15(21)13-5-6-14(18-17-13)19-10-7-16-8-11-19/h1,5-6,12,16H,3-4,7-11H2.
What are the key properties of (2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone?
(2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethynylpyrrolidin-1-yl)-(6-piperazin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 167834987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).