[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone

C10H14N4O — CID 104671679

IUPAC[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
SMILESCNC1CCN(C(=O)c2ccnnc2)C1
InChIInChI=1S/C10H14N4O/c1-11-9-3-5-14(7-9)10(15)8-2-4-12-13-6-8/h2,4,6,9,11H,3,5,7H2,1H3
InChIKeyQHHWXRAWLXPMQC-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.09
Rot. Bonds2

About [3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone

[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 104671679) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is [3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID104671679
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
SMILESCNC1CCN(C(=O)c2ccnnc2)C1
InChIInChI=1S/C10H14N4O/c1-11-9-3-5-14(7-9)10(15)8-2-4-12-13-6-8/h2,4,6,9,11H,3,5,7H2,1H3
InChIKeyQHHWXRAWLXPMQC-UHFFFAOYSA-N
XLogP-0.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104668815
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone
CID 104672542
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone
CID 114682903
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone (CID 104671679) is [3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone is CNC1CCN(C(=O)c2ccnnc2)C1.
What is the InChIKey of [3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is QHHWXRAWLXPMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-11-9-3-5-14(7-9)10(15)8-2-4-12-13-6-8/h2,4,6,9,11H,3,5,7H2,1H3.
What are the key properties of [3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 206.25 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 104671679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).