N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine

C13H19N5O — CID 171783137

IUPACN-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine
SMILESCCN1CCC[C@@H](Nc2nncc3onc(C)c23)C1
InChIInChI=1S/C13H19N5O/c1-3-18-6-4-5-10(8-18)15-13-12-9(2)17-19-11(12)7-14-16-13/h7,10H,3-6,8H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyNAYPJTAUVVVLQM-SNVBAGLBSA-N
MW261.33 g/mol
LogP1.82
Rot. Bonds3

About N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine

N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine (PubChem CID 171783137) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine
PubChem CID171783137
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine
SMILESCCN1CCC[C@@H](Nc2nncc3onc(C)c23)C1
InChIInChI=1S/C13H19N5O/c1-3-18-6-4-5-10(8-18)15-13-12-9(2)17-19-11(12)7-14-16-13/h7,10H,3-6,8H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyNAYPJTAUVVVLQM-SNVBAGLBSA-N
XLogP1.82
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine with MolForge

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Related Compounds

N-[(3R)-1-ethylpiperidin-3-yl]-1-methylpyrazolo[3,4-d]pyridazin-7-amine
CID 171783143
N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 70785850
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 95897596
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
N-(1-ethylpiperidin-3-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677438
N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897250
3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 113413667
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
4-N-(1-ethylpiperidin-3-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326015
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 131904905
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine?
The IUPAC name of N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine (CID 171783137) is N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine.
What is the SMILES notation for N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine?
The canonical SMILES for N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine is CCN1CCC[C@@H](Nc2nncc3onc(C)c23)C1.
What is the InChIKey of N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine?
The InChIKey is NAYPJTAUVVVLQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-18-6-4-5-10(8-18)15-13-12-9(2)17-19-11(12)7-14-16-13/h7,10H,3-6,8H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine?
N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine is sourced from PubChem (CID 171783137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).