2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide

C13H20N6O2S — CID 129327316

IUPAC2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N[C@H]2CCCn3nc(C(C)C)nc32)[nH]1
InChIInChI=1S/C13H20N6O2S/c1-8(2)12-16-13-10(5-4-6-19(13)17-12)18-22(20,21)11-7-14-9(3)15-11/h7-8,10,18H,4-6H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeySBIJYOWQIURWAZ-JTQLQIEISA-N
MW324.41 g/mol
LogP1.25
Rot. Bonds4

About 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide

2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide (PubChem CID 129327316) has the molecular formula C13H20N6O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide
PubChem CID129327316
Molecular FormulaC13H20N6O2S
Molecular Weight324.41 g/mol
Exact Mass324.14
IUPAC Name2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N[C@H]2CCCn3nc(C(C)C)nc32)[nH]1
InChIInChI=1S/C13H20N6O2S/c1-8(2)12-16-13-10(5-4-6-19(13)17-12)18-22(20,21)11-7-14-9(3)15-11/h7-8,10,18H,4-6H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeySBIJYOWQIURWAZ-JTQLQIEISA-N
XLogP1.25
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide (CID 129327316) is 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N[C@H]2CCCn3nc(C(C)C)nc32)[nH]1.
What is the InChIKey of 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is SBIJYOWQIURWAZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N6O2S/c1-8(2)12-16-13-10(5-4-6-19(13)17-12)18-22(20,21)11-7-14-9(3)15-11/h7-8,10,18H,4-6H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 129327316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).