2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid

C10H12N4O2S — CID 82024659

IUPAC2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid
SMILESCCC(Sc1nnc2ccc(N)cn12)C(=O)O
InChIInChI=1S/C10H12N4O2S/c1-2-7(9(15)16)17-10-13-12-8-4-3-6(11)5-14(8)10/h3-5,7H,2,11H2,1H3,(H,15,16)
InChIKeyWLAXDIISKHNJLB-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.27
Rot. Bonds4

About 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid

2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid (PubChem CID 82024659) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid.

Molecular Properties

Compound Name2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid
PubChem CID82024659
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid
SMILESCCC(Sc1nnc2ccc(N)cn12)C(=O)O
InChIInChI=1S/C10H12N4O2S/c1-2-7(9(15)16)17-10-13-12-8-4-3-6(11)5-14(8)10/h3-5,7H,2,11H2,1H3,(H,15,16)
InChIKeyWLAXDIISKHNJLB-UHFFFAOYSA-N
XLogP1.27
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

butan-2-yl 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanoate
CID 82024664
3-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butan-2-one
CID 82024661
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 83038187
2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61318641
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 103224283
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid
CID 7326586
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoic acid
CID 751743
2-(3-aminophenyl)sulfanylbutanoic acid
CID 79133300
6-amino-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 118879739
3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 114028936
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
(2R)-2-(1-ethoxycarbonylbenzimidazol-2-yl)sulfanylbutanoic acid
CID 40533709

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid?
The IUPAC name of 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid (CID 82024659) is 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid.
What is the SMILES notation for 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid?
The canonical SMILES for 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid is CCC(Sc1nnc2ccc(N)cn12)C(=O)O.
What is the InChIKey of 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid?
The InChIKey is WLAXDIISKHNJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-2-7(9(15)16)17-10-13-12-8-4-3-6(11)5-14(8)10/h3-5,7H,2,11H2,1H3,(H,15,16).
What are the key properties of 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid?
2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid has a molecular weight of 252.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid is sourced from PubChem (CID 82024659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).