3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C15H24N6O2S2 — CID 50834796

IUPAC3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)CC)CC3)n1CC
InChIInChI=1S/C15H24N6O2S2/c1-5-21-14(16-17-15(21)24-6-2)13-11-10-20(25(22,23)7-3)9-8-12(11)19(4)18-13/h5-10H2,1-4H3
InChIKeyUZJUXFCCSOYNIR-UHFFFAOYSA-N
MW384.53 g/mol
LogP1.52
Rot. Bonds6

About 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 50834796) has the molecular formula C15H24N6O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID50834796
Molecular FormulaC15H24N6O2S2
Molecular Weight384.53 g/mol
Exact Mass384.14
IUPAC Name3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)CC)CC3)n1CC
InChIInChI=1S/C15H24N6O2S2/c1-5-21-14(16-17-15(21)24-6-2)13-11-10-20(25(22,23)7-3)9-8-12(11)19(4)18-13/h5-10H2,1-4H3
InChIKeyUZJUXFCCSOYNIR-UHFFFAOYSA-N
XLogP1.52
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 50834796) is 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)CC)CC3)n1CC.
What is the InChIKey of 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is UZJUXFCCSOYNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S2/c1-5-21-14(16-17-15(21)24-6-2)13-11-10-20(25(22,23)7-3)9-8-12(11)19(4)18-13/h5-10H2,1-4H3.
What are the key properties of 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 384.53 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 50834796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).