(3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one

C13H20N4O2 — CID 95340427

IUPAC(3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one
SMILESCC(C)c1nc2n(n1)C[C@H](N[C@@H]1CCOC1=O)CC2
InChIInChI=1S/C13H20N4O2/c1-8(2)12-15-11-4-3-9(7-17(11)16-12)14-10-5-6-19-13(10)18/h8-10,14H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyKVFHBWLOBJGGQR-NXEZZACHSA-N
MW264.33 g/mol
LogP0.62
Rot. Bonds3

About (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one

(3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one (PubChem CID 95340427) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one
PubChem CID95340427
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one
SMILESCC(C)c1nc2n(n1)C[C@H](N[C@@H]1CCOC1=O)CC2
InChIInChI=1S/C13H20N4O2/c1-8(2)12-15-11-4-3-9(7-17(11)16-12)14-10-5-6-19-13(10)18/h8-10,14H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyKVFHBWLOBJGGQR-NXEZZACHSA-N
XLogP0.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one with MolForge

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Related Compounds

N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide
CID 99634698
(5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 124625386
2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117154532
(6S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95341679
(2S)-1-morpholin-4-yl-3-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95610385
(5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide
CID 129399870
1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
CID 95341786
N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 91651140
2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780081
(6R)-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95339675
(6S)-2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95607520
N-[(5-methylpyrazin-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 71932904

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one?
The IUPAC name of (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one (CID 95340427) is (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one.
What is the SMILES notation for (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one?
The canonical SMILES for (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one is CC(C)c1nc2n(n1)C[C@H](N[C@@H]1CCOC1=O)CC2.
What is the InChIKey of (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one?
The InChIKey is KVFHBWLOBJGGQR-NXEZZACHSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(2)12-15-11-4-3-9(7-17(11)16-12)14-10-5-6-19-13(10)18/h8-10,14H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one?
(3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one is sourced from PubChem (CID 95340427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).