(3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide

C15H20N6O2 — CID 129417899

IUPAC(3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1nnc2ccc(N3CCCC3)nn12)[C@H]1CCOC1
InChIInChI=1S/C15H20N6O2/c22-15(11-5-8-23-10-11)16-9-14-18-17-12-3-4-13(19-21(12)14)20-6-1-2-7-20/h3-4,11H,1-2,5-10H2,(H,16,22)/t11-/m0/s1
InChIKeyULXNYYOEHFEJGC-NSHDSACASA-N
MW316.37 g/mol
LogP0.38
Rot. Bonds4

About (3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide

(3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide (PubChem CID 129417899) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide
PubChem CID129417899
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1nnc2ccc(N3CCCC3)nn12)[C@H]1CCOC1
InChIInChI=1S/C15H20N6O2/c22-15(11-5-8-23-10-11)16-9-14-18-17-12-3-4-13(19-21(12)14)20-6-1-2-7-20/h3-4,11H,1-2,5-10H2,(H,16,22)/t11-/m0/s1
InChIKeyULXNYYOEHFEJGC-NSHDSACASA-N
XLogP0.38
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide
CID 121181824
(3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide
CID 129417407
2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
CID 121181805
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
CID 122318827
N-(furan-2-ylmethyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133390
N-cyclopentyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904093
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-propylpropanamide
CID 46275085
(3R)-N-[(4-fluorophenyl)methyl]-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39310975
(3S)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 39047918
N-[(4-methylphenyl)methyl]-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783357

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide (CID 129417899) is (3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide is O=C(NCc1nnc2ccc(N3CCCC3)nn12)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide?
The InChIKey is ULXNYYOEHFEJGC-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O2/c22-15(11-5-8-23-10-11)16-9-14-18-17-12-3-4-13(19-21(12)14)20-6-1-2-7-20/h3-4,11H,1-2,5-10H2,(H,16,22)/t11-/m0/s1.
What are the key properties of (3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide?
(3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 129417899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).