2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid

C12H15N5O3 — CID 61261162

IUPAC2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1c(C(=O)NC(C)(C)C(=O)O)cnc2ncnn12
InChIInChI=1S/C12H15N5O3/c1-4-8-7(5-13-11-14-6-15-17(8)11)9(18)16-12(2,3)10(19)20/h5-6H,4H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyZJLRWWSOHMSEJG-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.28
Rot. Bonds4

About 2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid

2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 61261162) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid
PubChem CID61261162
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1c(C(=O)NC(C)(C)C(=O)O)cnc2ncnn12
InChIInChI=1S/C12H15N5O3/c1-4-8-7(5-13-11-14-6-15-17(8)11)9(18)16-12(2,3)10(19)20/h5-6H,4H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyZJLRWWSOHMSEJG-UHFFFAOYSA-N
XLogP0.28
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid (CID 61261162) is 2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid is CCc1c(C(=O)NC(C)(C)C(=O)O)cnc2ncnn12.
What is the InChIKey of 2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is ZJLRWWSOHMSEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-4-8-7(5-13-11-14-6-15-17(8)11)9(18)16-12(2,3)10(19)20/h5-6H,4H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid?
2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61261162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).