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

C9H11N5O2 — CID 66282734

IUPAC7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N3CCC(O)C3)ncn12
InChIInChI=1S/C9H11N5O2/c15-6-1-2-13(4-6)7-3-8-11-12-9(16)14(8)5-10-7/h3,5-6,15H,1-2,4H2,(H,12,16)
InChIKeyGEBWAOZNDXXNBJ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-1.01
Rot. Bonds1

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

7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282734) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282734
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N3CCC(O)C3)ncn12
InChIInChI=1S/C9H11N5O2/c15-6-1-2-13(4-6)7-3-8-11-12-9(16)14(8)5-10-7/h3,5-6,15H,1-2,4H2,(H,12,16)
InChIKeyGEBWAOZNDXXNBJ-UHFFFAOYSA-N
XLogP-1.01
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281545
7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281562
7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281760
7-(2,3-dihydroxypropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281814
7-[3-hydroxypropyl(propan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281955
7-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281956
7-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281957
7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282150
7-[butyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282151
7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282152
7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282346
7-[butyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282404

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282734) is 7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(N3CCC(O)C3)ncn12.
What is the InChIKey of 7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is GEBWAOZNDXXNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c15-6-1-2-13(4-6)7-3-8-11-12-9(16)14(8)5-10-7/h3,5-6,15H,1-2,4H2,(H,12,16).
What are the key properties of 7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 221.22 g/mol, XLogP of -1.01, 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)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).