6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine

C13H17N5O — CID 167797903

IUPAC6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
SMILESCc1cnc(CN2CCCC2c2ccc(N)nn2)o1
InChIInChI=1S/C13H17N5O/c1-9-7-15-13(19-9)8-18-6-2-3-11(18)10-4-5-12(14)17-16-10/h4-5,7,11H,2-3,6,8H2,1H3,(H2,14,17)
InChIKeyBKJIAMNUKFXHTM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.69
Rot. Bonds3

About 6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine

6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine (PubChem CID 167797903) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
PubChem CID167797903
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
SMILESCc1cnc(CN2CCCC2c2ccc(N)nn2)o1
InChIInChI=1S/C13H17N5O/c1-9-7-15-13(19-9)8-18-6-2-3-11(18)10-4-5-12(14)17-16-10/h4-5,7,11H,2-3,6,8H2,1H3,(H2,14,17)
InChIKeyBKJIAMNUKFXHTM-UHFFFAOYSA-N
XLogP1.69
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-ethylpiperidin-2-yl)pyridazin-3-amine
CID 117105891
6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 154762799
6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 167759809
6-(1-methylpiperidin-2-yl)pyridazin-3-amine
CID 117105860
2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 86953341
5-(4-fluorophenyl)-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95569830
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
5-methyl-2-[[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]methyl]-1,3-oxazole
CID 99795877
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one
CID 106376506
6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine
CID 154793413
3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one
CID 106373170

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The IUPAC name of 6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine (CID 167797903) is 6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The canonical SMILES for 6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine is Cc1cnc(CN2CCCC2c2ccc(N)nn2)o1.
What is the InChIKey of 6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The InChIKey is BKJIAMNUKFXHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-15-13(19-9)8-18-6-2-3-11(18)10-4-5-12(14)17-16-10/h4-5,7,11H,2-3,6,8H2,1H3,(H2,14,17).
What are the key properties of 6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine has a molecular weight of 259.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine is sourced from PubChem (CID 167797903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).