1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide

C14H18N6O2S — CID 78820595

IUPAC1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)c1nnc2ccccn12
InChIInChI=1S/C14H18N6O2S/c1-9-13(11(3)19(4)17-9)23(21,22)18-10(2)14-16-15-12-7-5-6-8-20(12)14/h5-8,10,18H,1-4H3
InChIKeyTXERNGQIZAXURY-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.12
Rot. Bonds4

About 1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 78820595) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID78820595
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)c1nnc2ccccn12
InChIInChI=1S/C14H18N6O2S/c1-9-13(11(3)19(4)17-9)23(21,22)18-10(2)14-16-15-12-7-5-6-8-20(12)14/h5-8,10,18H,1-4H3
InChIKeyTXERNGQIZAXURY-UHFFFAOYSA-N
XLogP1.12
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide (CID 78820595) is 1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)c1nnc2ccccn12.
What is the InChIKey of 1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is TXERNGQIZAXURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-9-13(11(3)19(4)17-9)23(21,22)18-10(2)14-16-15-12-7-5-6-8-20(12)14/h5-8,10,18H,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 334.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 78820595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).