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

C12H14N4O2 — CID 113312155

IUPAC1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(NCC2(C(=O)O)CC2)n2ncnc2c1
InChIInChI=1S/C12H14N4O2/c1-8-4-9(16-10(5-8)14-7-15-16)13-6-12(2-3-12)11(17)18/h4-5,7,13H,2-3,6H2,1H3,(H,17,18)
InChIKeyOANINJNKSHKYFD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.31
Rot. Bonds4

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

1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312155) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312155
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(NCC2(C(=O)O)CC2)n2ncnc2c1
InChIInChI=1S/C12H14N4O2/c1-8-4-9(16-10(5-8)14-7-15-16)13-6-12(2-3-12)11(17)18/h4-5,7,13H,2-3,6H2,1H3,(H,17,18)
InChIKeyOANINJNKSHKYFD-UHFFFAOYSA-N
XLogP1.31
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-methyl-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103725041
4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol
CID 65118331
1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid
CID 61291624
N-[(1-cyclopropylcyclopropyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103837600
N-[(1,4-dimethylpiperidin-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 107164463
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid
CID 81065472
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103794615
3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid
CID 60893887
3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid
CID 65226758
7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 54942729
2-[2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]ethoxy]acetamide
CID 114162629
3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid
CID 63147325

Frequently Asked Questions

What is the IUPAC name of 1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid (CID 113312155) is 1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid is Cc1cc(NCC2(C(=O)O)CC2)n2ncnc2c1.
What is the InChIKey of 1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is OANINJNKSHKYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-4-9(16-10(5-8)14-7-15-16)13-6-12(2-3-12)11(17)18/h4-5,7,13H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.31, 4 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]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).