[2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone

C13H16N6O — CID 154761666

IUPAC[2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC1c1ccc(N)nn1
InChIInChI=1S/C13H16N6O/c1-18-8-15-7-11(18)13(20)19-6-2-3-10(19)9-4-5-12(14)17-16-9/h4-5,7-8,10H,2-3,6H2,1H3,(H2,14,17)
InChIKeyYNGLTIDLOXNVFN-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.77
Rot. Bonds2

About [2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone

[2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 154761666) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is [2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID154761666
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name[2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC1c1ccc(N)nn1
InChIInChI=1S/C13H16N6O/c1-18-8-15-7-11(18)13(20)19-6-2-3-10(19)9-4-5-12(14)17-16-9/h4-5,7-8,10H,2-3,6H2,1H3,(H2,14,17)
InChIKeyYNGLTIDLOXNVFN-UHFFFAOYSA-N
XLogP0.77
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512063
6-(1-methylpiperidin-2-yl)pyridazin-3-amine
CID 117105860
methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151
[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126820795
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127246960
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95824426
6-(1-ethylpiperidin-2-yl)pyridazin-3-amine
CID 117105891
[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510289
[(2R)-4-benzyl-2-methyl-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 100647026

Frequently Asked Questions

What is the IUPAC name of [2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 154761666) is [2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCCC1c1ccc(N)nn1.
What is the InChIKey of [2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is YNGLTIDLOXNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-18-8-15-7-11(18)13(20)19-6-2-3-10(19)9-4-5-12(14)17-16-9/h4-5,7-8,10H,2-3,6H2,1H3,(H2,14,17).
What are the key properties of [2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 154761666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).