2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid

C11H13N5O3 — CID 94672428

IUPAC2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cn1nc2ccnc(N3CCCC3)n2c1=O
InChIInChI=1S/C11H13N5O3/c17-9(18)7-15-11(19)16-8(13-15)3-4-12-10(16)14-5-1-2-6-14/h3-4H,1-2,5-7H2,(H,17,18)
InChIKeyAGRLVUXAWSFAKJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.42
Rot. Bonds3

About 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid

2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid (PubChem CID 94672428) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid
PubChem CID94672428
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cn1nc2ccnc(N3CCCC3)n2c1=O
InChIInChI=1S/C11H13N5O3/c17-9(18)7-15-11(19)16-8(13-15)3-4-12-10(16)14-5-1-2-6-14/h3-4H,1-2,5-7H2,(H,17,18)
InChIKeyAGRLVUXAWSFAKJ-UHFFFAOYSA-N
XLogP-0.42
TPSA92.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid with MolForge

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Related Compounds

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid
CID 66273458
2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
CID 10933959
1-(2-phenylethyl)-2-pyrrolidin-1-ylimidazole
CID 21495233
2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid
CID 43132370
2-[4-(azetidin-1-yl)triazol-2-yl]acetic acid
CID 165140511
3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
CID 82661762
5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 16675961
2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine
CID 174801084
4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid
CID 129249563
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
CID 16676033
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid (CID 94672428) is 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid is O=C(O)Cn1nc2ccnc(N3CCCC3)n2c1=O.
What is the InChIKey of 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid?
The InChIKey is AGRLVUXAWSFAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c17-9(18)7-15-11(19)16-8(13-15)3-4-12-10(16)14-5-1-2-6-14/h3-4H,1-2,5-7H2,(H,17,18).
What are the key properties of 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid?
2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid has a molecular weight of 263.26 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 94672428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).