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

C9H11N5O3 — CID 106673245

IUPAC7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N3CC(O)C(O)C3)ncn12
InChIInChI=1S/C9H11N5O3/c15-5-2-13(3-6(5)16)7-1-8-11-12-9(17)14(8)4-10-7/h1,4-6,15-16H,2-3H2,(H,12,17)
InChIKeyKGPDMDNUVXIBTO-UHFFFAOYSA-N
MW237.22 g/mol
LogP-2.04
Rot. Bonds1

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

7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 106673245) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID106673245
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N3CC(O)C(O)C3)ncn12
InChIInChI=1S/C9H11N5O3/c15-5-2-13(3-6(5)16)7-1-8-11-12-9(17)14(8)4-10-7/h1,4-6,15-16H,2-3H2,(H,12,17)
InChIKeyKGPDMDNUVXIBTO-UHFFFAOYSA-N
XLogP-2.04
TPSA106.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 104892913
7-(4-bromopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80674533
7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 113282087
7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282689
7-(3-chloro-4-methylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 102960804
1-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidine-3-carbaldehyde
CID 66282160
7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283317
7-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 81097351
7-[4-(2-bromoethyl)piperazin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80675558
7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282684
2-[4-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazin-1-yl]ethanethioamide
CID 66282493
7-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283125

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 106673245) is 7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(N3CC(O)C(O)C3)ncn12.
What is the InChIKey of 7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is KGPDMDNUVXIBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c15-5-2-13(3-6(5)16)7-1-8-11-12-9(17)14(8)4-10-7/h1,4-6,15-16H,2-3H2,(H,12,17).
What are the key properties of 7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 237.22 g/mol, XLogP of -2.04, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 106673245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).