N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide

C12H17N5O2S — CID 125446416

IUPACN-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCCCn1ncnc1[C@H](C)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C12H17N5O2S/c1-3-7-17-12(14-9-15-17)10(2)16-20(18,19)11-5-4-6-13-8-11/h4-6,8-10,16H,3,7H2,1-2H3/t10-/m0/s1
InChIKeyKVWCQYRMBGEMFK-JTQLQIEISA-N
MW295.37 g/mol
LogP1.12
Rot. Bonds6

About N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide

N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 125446416) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
PubChem CID125446416
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCCCn1ncnc1[C@H](C)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C12H17N5O2S/c1-3-7-17-12(14-9-15-17)10(2)16-20(18,19)11-5-4-6-13-8-11/h4-6,8-10,16H,3,7H2,1-2H3/t10-/m0/s1
InChIKeyKVWCQYRMBGEMFK-JTQLQIEISA-N
XLogP1.12
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-isopropylpyridine-3-sulfonamide
CID 42623869
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propan-2-ylpyridine-3-sulfonamide
CID 44621441
4-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzenesulfonamide
CID 137658873
1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 969953
N,N-diisopropyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741689
1-[(4-methylphenyl)sulfonyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970935
US9156811, Ddd85629
CID 57393583
US9156811, Ddd85626
CID 58561349
US9156811, Ddd86296
CID 58561211
[1,2,4]Triazolo[1,5-a]pyridine-6-sulfonyl chloride
CID 83821830
N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 47084788
4-Fluoro-N-{2-methyl-[1,2,4]triazolo[1,5-A]pyridin-8-YL}benzene-1-sulfonamide
CID 53190639

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (CID 125446416) is N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is CCCn1ncnc1[C@H](C)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is KVWCQYRMBGEMFK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-7-17-12(14-9-15-17)10(2)16-20(18,19)11-5-4-6-13-8-11/h4-6,8-10,16H,3,7H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 125446416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).