(3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C16H24N6O — CID 95321440

IUPAC(3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCCCCc1nc(CN[C@@H]2CCCN(c3cccnn3)C2)no1
InChIInChI=1S/C16H24N6O/c1-2-3-8-16-19-14(21-23-16)11-17-13-6-5-10-22(12-13)15-7-4-9-18-20-15/h4,7,9,13,17H,2-3,5-6,8,10-12H2,1H3/t13-/m1/s1
InChIKeyCXVWQXABFVJNQC-CYBMUJFWSA-N
MW316.41 g/mol
LogP1.96
Rot. Bonds7

About (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95321440) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95321440
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCCCCc1nc(CN[C@@H]2CCCN(c3cccnn3)C2)no1
InChIInChI=1S/C16H24N6O/c1-2-3-8-16-19-14(21-23-16)11-17-13-6-5-10-22(12-13)15-7-4-9-18-20-15/h4,7,9,13,17H,2-3,5-6,8,10-12H2,1H3/t13-/m1/s1
InChIKeyCXVWQXABFVJNQC-CYBMUJFWSA-N
XLogP1.96
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine with MolForge

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Related Compounds

(3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95322953
(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321236
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95327503
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3S)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95336987
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778130

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 95321440) is (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is CCCCc1nc(CN[C@@H]2CCCN(c3cccnn3)C2)no1.
What is the InChIKey of (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is CXVWQXABFVJNQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O/c1-2-3-8-16-19-14(21-23-16)11-17-13-6-5-10-22(12-13)15-7-4-9-18-20-15/h4,7,9,13,17H,2-3,5-6,8,10-12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 316.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95321440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).