5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid

C8H7N5O2S — CID 114409313

IUPAC5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Sc1ncn[nH]1
InChIInChI=1S/C8H7N5O2S/c9-4-1-2-5(7(14)15)12-6(4)16-8-10-3-11-13-8/h1-3H,9H2,(H,14,15)(H,10,11,13)
InChIKeyMVNWNFBMTNUWRL-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.63
Rot. Bonds3

About 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid

5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid (PubChem CID 114409313) has the molecular formula C8H7N5O2S and a molecular weight of 237.24 g/mol. Its IUPAC name is 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid
PubChem CID114409313
Molecular FormulaC8H7N5O2S
Molecular Weight237.24 g/mol
Exact Mass237.03
IUPAC Name5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Sc1ncn[nH]1
InChIInChI=1S/C8H7N5O2S/c9-4-1-2-5(7(14)15)12-6(4)16-8-10-3-11-13-8/h1-3H,9H2,(H,14,15)(H,10,11,13)
InChIKeyMVNWNFBMTNUWRL-UHFFFAOYSA-N
XLogP0.63
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 114409315
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carboxylic acid
CID 107555109
5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid
CID 112736320
5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid
CID 114409759
2-bromo-6-(1H-1,2,4-triazol-5-ylsulfanyl)benzoic acid
CID 114888743
5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid
CID 114409789
5-amino-6-(2,3-dihydroxypropylsulfanyl)pyridine-2-carboxylic acid
CID 114409765
4-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)benzenesulfonamide
CID 82899611
5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylic acid
CID 16782583
3-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzoic acid
CID 107112631
2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 18708290
3-amino-N,N-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide
CID 82989401

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid (CID 114409313) is 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1Sc1ncn[nH]1.
What is the InChIKey of 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid?
The InChIKey is MVNWNFBMTNUWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S/c9-4-1-2-5(7(14)15)12-6(4)16-8-10-3-11-13-8/h1-3H,9H2,(H,14,15)(H,10,11,13).
What are the key properties of 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid?
5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid has a molecular weight of 237.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114409313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).