3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C10H13N5O — CID 79818138

IUPAC3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOC1CNC(c2nnc3ccncn23)C1
InChIInChI=1S/C10H13N5O/c1-16-7-4-8(12-5-7)10-14-13-9-2-3-11-6-15(9)10/h2-3,6-8,12H,4-5H2,1H3
InChIKeyQHQNUFFOYIWEHL-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.17
Rot. Bonds2

About 3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 79818138) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID79818138
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOC1CNC(c2nnc3ccncn23)C1
InChIInChI=1S/C10H13N5O/c1-16-7-4-8(12-5-7)10-14-13-9-2-3-11-6-15(9)10/h2-3,6-8,12H,4-5H2,1H3
InChIKeyQHQNUFFOYIWEHL-UHFFFAOYSA-N
XLogP0.17
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 79818138) is 3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is COC1CNC(c2nnc3ccncn23)C1.
What is the InChIKey of 3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is QHQNUFFOYIWEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-16-7-4-8(12-5-7)10-14-13-9-2-3-11-6-15(9)10/h2-3,6-8,12H,4-5H2,1H3.
What are the key properties of 3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 219.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 79818138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).