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

C13H17N5O2 — CID 81161249

IUPAC2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCc1cc(NCC2(CC(=O)O)CCC2)n2ncnc2n1
InChIInChI=1S/C13H17N5O2/c1-9-5-10(18-12(17-9)15-8-16-18)14-7-13(3-2-4-13)6-11(19)20/h5,8,14H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyNZNHSSLAKAEIMD-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.49
Rot. Bonds5

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

2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81161249) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81161249
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCc1cc(NCC2(CC(=O)O)CCC2)n2ncnc2n1
InChIInChI=1S/C13H17N5O2/c1-9-5-10(18-12(17-9)15-8-16-18)14-7-13(3-2-4-13)6-11(19)20/h5,8,14H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyNZNHSSLAKAEIMD-UHFFFAOYSA-N
XLogP1.49
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid (CID 81161249) is 2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid is Cc1cc(NCC2(CC(=O)O)CCC2)n2ncnc2n1.
What is the InChIKey of 2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is NZNHSSLAKAEIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-5-10(18-12(17-9)15-8-16-18)14-7-13(3-2-4-13)6-11(19)20/h5,8,14H,2-4,6-7H2,1H3,(H,19,20).
What are the key properties of 2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 275.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81161249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).