5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C15H15N5O4 — CID 119226513

IUPAC5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1cc(C)n2nc(C(=O)NCc3cc(C(=O)O)c(C)o3)nc2n1
InChIInChI=1S/C15H15N5O4/c1-7-4-8(2)20-15(17-7)18-12(19-20)13(21)16-6-10-5-11(14(22)23)9(3)24-10/h4-5H,6H2,1-3H3,(H,16,21)(H,22,23)
InChIKeyYMIJSIZMVUTOQP-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.27
Rot. Bonds4

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

5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226513) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226513
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1cc(C)n2nc(C(=O)NCc3cc(C(=O)O)c(C)o3)nc2n1
InChIInChI=1S/C15H15N5O4/c1-7-4-8(2)20-15(17-7)18-12(19-20)13(21)16-6-10-5-11(14(22)23)9(3)24-10/h4-5H,6H2,1-3H3,(H,16,21)(H,22,23)
InChIKeyYMIJSIZMVUTOQP-UHFFFAOYSA-N
XLogP1.27
TPSA122.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226513) is 5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1cc(C)n2nc(C(=O)NCc3cc(C(=O)O)c(C)o3)nc2n1.
What is the InChIKey of 5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is YMIJSIZMVUTOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-7-4-8(2)20-15(17-7)18-12(19-20)13(21)16-6-10-5-11(14(22)23)9(3)24-10/h4-5H,6H2,1-3H3,(H,16,21)(H,22,23).
What are the key properties of 5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 329.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).