N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide

C13H16N6O2S — CID 126839647

IUPACN-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1ccn2cnnc2c1NS(=O)(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H16N6O2S/c1-9(2)19-7-11(6-15-19)22(20,21)17-12-10(3)4-5-18-8-14-16-13(12)18/h4-9,17H,1-3H3
InChIKeyLDYRZSUUYCCGOT-UHFFFAOYSA-N
MW320.38 g/mol
LogP1.62
Rot. Bonds4

About N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide

N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 126839647) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID126839647
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC NameN-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1ccn2cnnc2c1NS(=O)(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H16N6O2S/c1-9(2)19-7-11(6-15-19)22(20,21)17-12-10(3)4-5-18-8-14-16-13(12)18/h4-9,17H,1-3H3
InChIKeyLDYRZSUUYCCGOT-UHFFFAOYSA-N
XLogP1.62
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 126839647) is N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide is Cc1ccn2cnnc2c1NS(=O)(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is LDYRZSUUYCCGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-9(2)19-7-11(6-15-19)22(20,21)17-12-10(3)4-5-18-8-14-16-13(12)18/h4-9,17H,1-3H3.
What are the key properties of N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 320.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 126839647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).