1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione

C18H20N6O3 — CID 125175514

About 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione (PubChem CID 125175514) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
• PubChem CID: 125175514
• Molecular Formula: C18H20N6O3
• Molecular Weight: 368.40 g/mol
• Exact Mass: 368.16
• IUPAC Name: 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
• SMILES: Cn1c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc(=O)n(C)c1=O
• InChI: InChI=1S/C18H20N6O3/c1-21-13(10-15(25)22(2)18(21)27)17(26)23-8-5-6-12(11-23)16-20-19-14-7-3-4-9-24(14)16/h3-4,7,9-10,12H,5-6,8,11H2,1-2H3/t12-/m0/s1
• InChIKey: KCNYQKQRSBEDKE-LBPRGKRZSA-N
• XLogP: 0.15
• TPSA: 94.50 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.40
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?

The IUPAC name of 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione (CID 125175514) is 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?

The canonical SMILES for 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione is Cn1c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc(=O)n(C)c1=O.

What is the InChIKey of 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?

The InChIKey is KCNYQKQRSBEDKE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-21-13(10-15(25)22(2)18(21)27)17(26)23-8-5-6-12(11-23)16-20-19-14-7-3-4-9-24(14)16/h3-4,7,9-10,12H,5-6,8,11H2,1-2H3/t12-/m0/s1.

What are the key properties of 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?

1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione has a molecular weight of 368.40 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione is sourced from PubChem (CID 125175514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).