2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide

C12H18N6O2S — CID 106283483

IUPAC2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NC(C)c2ncn[nH]2)ccn1
InChIInChI=1S/C12H18N6O2S/c1-3-5-13-11-7-10(4-6-14-11)21(19,20)18-9(2)12-15-8-16-17-12/h4,6-9,18H,3,5H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyWSIISWONKNXMPH-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.06
Rot. Bonds7

About 2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide

2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide (PubChem CID 106283483) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
PubChem CID106283483
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NC(C)c2ncn[nH]2)ccn1
InChIInChI=1S/C12H18N6O2S/c1-3-5-13-11-7-10(4-6-14-11)21(19,20)18-9(2)12-15-8-16-17-12/h4,6-9,18H,3,5H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyWSIISWONKNXMPH-UHFFFAOYSA-N
XLogP1.06
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(dicyclopropylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62152445
N-(1-cyclopropylpropan-2-yl)-2-(propylamino)pyridine-4-sulfonamide
CID 63995589
4-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283457
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
4-methyl-3-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283858
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide
CID 107589827
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407859
4-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283902
4-(bromomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 114168203
2-amino-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281114
4-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943283

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide (CID 106283483) is 2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide is CCCNc1cc(S(=O)(=O)NC(C)c2ncn[nH]2)ccn1.
What is the InChIKey of 2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide?
The InChIKey is WSIISWONKNXMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-3-5-13-11-7-10(4-6-14-11)21(19,20)18-9(2)12-15-8-16-17-12/h4,6-9,18H,3,5H2,1-2H3,(H,13,14)(H,15,16,17).
What are the key properties of 2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide?
2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 106283483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).