1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid

C15H20N4O2 — CID 61291624

IUPAC1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid
SMILESCc1cc(NC2(C(=O)O)CCCCCC2)n2ncnc2c1
InChIInChI=1S/C15H20N4O2/c1-11-8-12-16-10-17-19(12)13(9-11)18-15(14(20)21)6-4-2-3-5-7-15/h8-10,18H,2-7H2,1H3,(H,20,21)
InChIKeyOORJRJMECXHZOX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.63
Rot. Bonds3

About 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid

1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid (PubChem CID 61291624) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid
PubChem CID61291624
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid
SMILESCc1cc(NC2(C(=O)O)CCCCCC2)n2ncnc2c1
InChIInChI=1S/C15H20N4O2/c1-11-8-12-16-10-17-19(12)13(9-11)18-15(14(20)21)6-4-2-3-5-7-15/h8-10,18H,2-7H2,1H3,(H,20,21)
InChIKeyOORJRJMECXHZOX-UHFFFAOYSA-N
XLogP2.63
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312155
7-methyl-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103725041
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid
CID 81065472
4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol
CID 65118331
3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid
CID 65226758
N-[(1-cyclopropylcyclopropyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103837600
2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid
CID 61024854
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977559
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103794615
N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65027810
4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol
CID 43232806
3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol
CID 103703392

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid (CID 61291624) is 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid is Cc1cc(NC2(C(=O)O)CCCCCC2)n2ncnc2c1.
What is the InChIKey of 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is OORJRJMECXHZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-8-12-16-10-17-19(12)13(9-11)18-15(14(20)21)6-4-2-3-5-7-15/h8-10,18H,2-7H2,1H3,(H,20,21).
What are the key properties of 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid?
1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 61291624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).