2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid

C10H11N5O4 — CID 66165203

IUPAC2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
SMILESCc1ccnc2nc(C(=O)NCC(O)C(=O)O)nn12
InChIInChI=1S/C10H11N5O4/c1-5-2-3-11-10-13-7(14-15(5)10)8(17)12-4-6(16)9(18)19/h2-3,6,16H,4H2,1H3,(H,12,17)(H,18,19)
InChIKeyDTMLSDLWIWWWSO-UHFFFAOYSA-N
MW265.23 g/mol
LogP-1.39
Rot. Bonds4

About 2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid

2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid (PubChem CID 66165203) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
PubChem CID66165203
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid
SMILESCc1ccnc2nc(C(=O)NCC(O)C(=O)O)nn12
InChIInChI=1S/C10H11N5O4/c1-5-2-3-11-10-13-7(14-15(5)10)8(17)12-4-6(16)9(18)19/h2-3,6,16H,4H2,1H3,(H,12,17)(H,18,19)
InChIKeyDTMLSDLWIWWWSO-UHFFFAOYSA-N
XLogP-1.39
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid (CID 66165203) is 2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid is Cc1ccnc2nc(C(=O)NCC(O)C(=O)O)nn12.
What is the InChIKey of 2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid?
The InChIKey is DTMLSDLWIWWWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-5-2-3-11-10-13-7(14-15(5)10)8(17)12-4-6(16)9(18)19/h2-3,6,16H,4H2,1H3,(H,12,17)(H,18,19).
What are the key properties of 2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid has a molecular weight of 265.23 g/mol, XLogP of -1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66165203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).