3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid

C11H12ClN5O3 — CID 122093783

IUPAC3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1nc2cc(Cl)ccn2n1
InChIInChI=1S/C11H12ClN5O3/c1-16(4-3-9(18)19)11(20)14-10-13-8-6-7(12)2-5-17(8)15-10/h2,5-6H,3-4H2,1H3,(H,18,19)(H,14,15,20)
InChIKeyBGVJFTXZSMVWAQ-UHFFFAOYSA-N
MW297.70 g/mol
LogP1.32
Rot. Bonds4

About 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid

3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid (PubChem CID 122093783) has the molecular formula C11H12ClN5O3 and a molecular weight of 297.70 g/mol. Its IUPAC name is 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid
PubChem CID122093783
Molecular FormulaC11H12ClN5O3
Molecular Weight297.70 g/mol
Exact Mass297.06
IUPAC Name3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Nc1nc2cc(Cl)ccn2n1
InChIInChI=1S/C11H12ClN5O3/c1-16(4-3-9(18)19)11(20)14-10-13-8-6-7(12)2-5-17(8)15-10/h2,5-6H,3-4H2,1H3,(H,18,19)(H,14,15,20)
InChIKeyBGVJFTXZSMVWAQ-UHFFFAOYSA-N
XLogP1.32
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid with MolForge

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Related Compounds

3-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl-methylamino]propanoic acid
CID 61181031
3-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid
CID 116990214
1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1,2-oxazol-3-ylmethyl)urea
CID 167868862
1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylmethanamine
CID 117257839
4-[(5-chloro-2-fluorophenyl)carbamoyl-methylamino]butanoic acid
CID 43438601
3-[(3-bromo-5-chlorophenyl)carbamoyl-methylamino]propanoic acid
CID 122080167
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid
CID 122093816
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
3-[(4-chloro-2-iodophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 122012063
3-[[(1S)-1-(2,5-dichlorophenyl)ethyl]carbamoyl-methylamino]propanoic acid
CID 122010888
3-[(2-fluoro-5-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61195941

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid (CID 122093783) is 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)Nc1nc2cc(Cl)ccn2n1.
What is the InChIKey of 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid?
The InChIKey is BGVJFTXZSMVWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O3/c1-16(4-3-9(18)19)11(20)14-10-13-8-6-7(12)2-5-17(8)15-10/h2,5-6H,3-4H2,1H3,(H,18,19)(H,14,15,20).
What are the key properties of 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid?
3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid has a molecular weight of 297.70 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122093783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).