2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid

C11H15N5O2 — CID 55021059

IUPAC2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid
SMILESCc1cc(N(CC(=O)O)C(C)C)n2ncnc2n1
InChIInChI=1S/C11H15N5O2/c1-7(2)15(5-10(17)18)9-4-8(3)14-11-12-6-13-16(9)11/h4,6-7H,5H2,1-3H3,(H,17,18)
InChIKeyGTSMJZQQWPFMFO-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.73
Rot. Bonds4

About 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid

2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid (PubChem CID 55021059) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid
PubChem CID55021059
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid
SMILESCc1cc(N(CC(=O)O)C(C)C)n2ncnc2n1
InChIInChI=1S/C11H15N5O2/c1-7(2)15(5-10(17)18)9-4-8(3)14-11-12-6-13-16(9)11/h4,6-7H,5H2,1-3H3,(H,17,18)
InChIKeyGTSMJZQQWPFMFO-UHFFFAOYSA-N
XLogP0.73
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid (CID 55021059) is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid is Cc1cc(N(CC(=O)O)C(C)C)n2ncnc2n1.
What is the InChIKey of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid?
The InChIKey is GTSMJZQQWPFMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7(2)15(5-10(17)18)9-4-8(3)14-11-12-6-13-16(9)11/h4,6-7H,5H2,1-3H3,(H,17,18).
What are the key properties of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid?
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 55021059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).