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

C14H19N5O2 — CID 61015848

IUPAC2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
SMILESCc1cc(NC(C(=O)O)C2CCCCC2)n2ncnc2n1
InChIInChI=1S/C14H19N5O2/c1-9-7-11(19-14(17-9)15-8-16-19)18-12(13(20)21)10-5-3-2-4-6-10/h7-8,10,12,18H,2-6H2,1H3,(H,20,21)
InChIKeyPISCSXOETDXKHL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.88
Rot. Bonds4

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

2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid (PubChem CID 61015848) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
PubChem CID61015848
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
SMILESCc1cc(NC(C(=O)O)C2CCCCC2)n2ncnc2n1
InChIInChI=1S/C14H19N5O2/c1-9-7-11(19-14(17-9)15-8-16-19)18-12(13(20)21)10-5-3-2-4-6-10/h7-8,10,12,18H,2-6H2,1H3,(H,20,21)
InChIKeyPISCSXOETDXKHL-UHFFFAOYSA-N
XLogP1.88
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid (CID 61015848) is 2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid is Cc1cc(NC(C(=O)O)C2CCCCC2)n2ncnc2n1.
What is the InChIKey of 2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid?
The InChIKey is PISCSXOETDXKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-7-11(19-14(17-9)15-8-16-19)18-12(13(20)21)10-5-3-2-4-6-10/h7-8,10,12,18H,2-6H2,1H3,(H,20,21).
What are the key properties of 2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid?
2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid has a molecular weight of 289.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid is sourced from PubChem (CID 61015848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).