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

C15H22N6O — CID 95321236

IUPAC(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCC(C)c1nc(CN[C@H]2CCCN(c3cccnn3)C2)no1
InChIInChI=1S/C15H22N6O/c1-11(2)15-18-13(20-22-15)9-16-12-5-4-8-21(10-12)14-6-3-7-17-19-14/h3,6-7,11-12,16H,4-5,8-10H2,1-2H3/t12-/m0/s1
InChIKeyZCOCPWXAWRAYBJ-LBPRGKRZSA-N
MW302.38 g/mol
LogP1.74
Rot. Bonds5

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

(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95321236) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95321236
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCC(C)c1nc(CN[C@H]2CCCN(c3cccnn3)C2)no1
InChIInChI=1S/C15H22N6O/c1-11(2)15-18-13(20-22-15)9-16-12-5-4-8-21(10-12)14-6-3-7-17-19-14/h3,6-7,11-12,16H,4-5,8-10H2,1-2H3/t12-/m0/s1
InChIKeyZCOCPWXAWRAYBJ-LBPRGKRZSA-N
XLogP1.74
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321440
(3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95322953
(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
(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
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95344749
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 (3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 95321236) is (3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is CC(C)c1nc(CN[C@H]2CCCN(c3cccnn3)C2)no1.
What is the InChIKey of (3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is ZCOCPWXAWRAYBJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11(2)15-18-13(20-22-15)9-16-12-5-4-8-21(10-12)14-6-3-7-17-19-14/h3,6-7,11-12,16H,4-5,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 302.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95321236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).