(3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone

C11H13N5O3 — CID 106671720

About (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 106671720) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

• Compound Name: (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone
• PubChem CID: 106671720
• Molecular Formula: C11H13N5O3
• Molecular Weight: 263.26 g/mol
• Exact Mass: 263.10
• IUPAC Name: (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone
• SMILES: Cc1c(C(=O)N2CC(O)C(O)C2)cnc2ncnn12
• InChI: InChI=1S/C11H13N5O3/c1-6-7(2-12-11-13-5-14-16(6)11)10(19)15-3-8(17)9(18)4-15/h2,5,8-9,17-18H,3-4H2,1H3
• InChIKey: JETQQBJYFUOVGE-UHFFFAOYSA-N
• XLogP: -1.39
• TPSA: 103.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.26
LogP ≤ 5	-1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone?

The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone (CID 106671720) is (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone.

What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone?

The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1c(C(=O)N2CC(O)C(O)C2)cnc2ncnn12.

What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone?

The InChIKey is JETQQBJYFUOVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-6-7(2-12-11-13-5-14-16(6)11)10(19)15-3-8(17)9(18)4-15/h2,5,8-9,17-18H,3-4H2,1H3.

What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone?

(3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 263.26 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 106671720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).