3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione

C9H11N5O3 — CID 137138260

IUPAC3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c(=O)c2nnn(C[C@@H]3CCCO3)c2[nH]1
InChIInChI=1S/C9H11N5O3/c15-8-6-7(10-9(16)11-8)14(13-12-6)4-5-2-1-3-17-5/h5H,1-4H2,(H2,10,11,15,16)/t5-/m0/s1
InChIKeyPZXVBKIZNYOELZ-YFKPBYRVSA-N
MW237.22 g/mol
LogP-1.01
Rot. Bonds2

About 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione

3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 137138260) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione
PubChem CID137138260
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c(=O)c2nnn(C[C@@H]3CCCO3)c2[nH]1
InChIInChI=1S/C9H11N5O3/c15-8-6-7(10-9(16)11-8)14(13-12-6)4-5-2-1-3-17-5/h5H,1-4H2,(H2,10,11,15,16)/t5-/m0/s1
InChIKeyPZXVBKIZNYOELZ-YFKPBYRVSA-N
XLogP-1.01
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-(oxolan-2-ylmethyl)-9-[6-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidenepurin-9-yl]-2-sulfanylidenepurin-6-one
CID 91191868
5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 70695147
5-cyclopropyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 70697189
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
CID 7619116
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
5-(aminomethyl)-1-(oxan-2-ylmethyl)triazole-4-carboxylic acid
CID 103121895
1-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
CID 861301
3-[(2-chlorophenyl)methyl]-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6H-triazolo[4,5-d]pyrimidine-5-carboxamide
CID 135624135
[7-amino-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-5-yl]methyl acetate
CID 70686816

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione (CID 137138260) is 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione is O=c1[nH]c(=O)c2nnn(C[C@@H]3CCCO3)c2[nH]1.
What is the InChIKey of 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione?
The InChIKey is PZXVBKIZNYOELZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11N5O3/c15-8-6-7(10-9(16)11-8)14(13-12-6)4-5-2-1-3-17-5/h5H,1-4H2,(H2,10,11,15,16)/t5-/m0/s1.
What are the key properties of 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione?
3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 237.22 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-oxolan-2-yl]methyl]-4H-triazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 137138260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).