7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H13N5O2 — CID 66283972

IUPAC7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CCC(O)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H13N5O2/c1-6-11-8(14-3-2-7(16)5-14)4-9-12-13-10(17)15(6)9/h4,7,16H,2-3,5H2,1H3,(H,13,17)
InChIKeyOBOBZXUUOJKDRL-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.70
Rot. Bonds1

About 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283972) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283972
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CCC(O)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H13N5O2/c1-6-11-8(14-3-2-7(16)5-14)4-9-12-13-10(17)15(6)9/h4,7,16H,2-3,5H2,1H3,(H,13,17)
InChIKeyOBOBZXUUOJKDRL-UHFFFAOYSA-N
XLogP-0.70
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283972) is 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(N2CCC(O)C2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is OBOBZXUUOJKDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-11-8(14-3-2-7(16)5-14)4-9-12-13-10(17)15(6)9/h4,7,16H,2-3,5H2,1H3,(H,13,17).
What are the key properties of 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 235.25 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxypyrrolidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).