2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid

C13H17N5O2 — CID 64818022

IUPAC2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nnc2c(NC3CCCCC3C(=O)O)nccn12
InChIInChI=1S/C13H17N5O2/c1-8-16-17-12-11(14-6-7-18(8)12)15-10-5-3-2-4-9(10)13(19)20/h6-7,9-10H,2-5H2,1H3,(H,14,15)(H,19,20)
InChIKeyXYCYHFFPDOMYAM-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.49
Rot. Bonds3

About 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid

2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64818022) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID64818022
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nnc2c(NC3CCCCC3C(=O)O)nccn12
InChIInChI=1S/C13H17N5O2/c1-8-16-17-12-11(14-6-7-18(8)12)15-10-5-3-2-4-9(10)13(19)20/h6-7,9-10H,2-5H2,1H3,(H,14,15)(H,19,20)
InChIKeyXYCYHFFPDOMYAM-UHFFFAOYSA-N
XLogP1.49
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
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-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid (CID 64818022) is 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid is Cc1nnc2c(NC3CCCCC3C(=O)O)nccn12.
What is the InChIKey of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XYCYHFFPDOMYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-16-17-12-11(14-6-7-18(8)12)15-10-5-3-2-4-9(10)13(19)20/h6-7,9-10H,2-5H2,1H3,(H,14,15)(H,19,20).
What are the key properties of 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid?
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64818022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).