1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one

C17H26N6OS — CID 53019485

IUPAC1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one
SMILESCCSc1nnc(-c2nn(C)c3c2CN(C(=O)CC(C)C)CC3)n1C
InChIInChI=1S/C17H26N6OS/c1-6-25-17-19-18-16(21(17)4)15-12-10-23(14(24)9-11(2)3)8-7-13(12)22(5)20-15/h11H,6-10H2,1-5H3
InChIKeyFMABIOXCDGTOBV-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.26
Rot. Bonds5

About 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one

1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one (PubChem CID 53019485) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one
PubChem CID53019485
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one
SMILESCCSc1nnc(-c2nn(C)c3c2CN(C(=O)CC(C)C)CC3)n1C
InChIInChI=1S/C17H26N6OS/c1-6-25-17-19-18-16(21(17)4)15-12-10-23(14(24)9-11(2)3)8-7-13(12)22(5)20-15/h11H,6-10H2,1-5H3
InChIKeyFMABIOXCDGTOBV-UHFFFAOYSA-N
XLogP2.26
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one (CID 53019485) is 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one is CCSc1nnc(-c2nn(C)c3c2CN(C(=O)CC(C)C)CC3)n1C.
What is the InChIKey of 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one?
The InChIKey is FMABIOXCDGTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-6-25-17-19-18-16(21(17)4)15-12-10-23(14(24)9-11(2)3)8-7-13(12)22(5)20-15/h11H,6-10H2,1-5H3.
What are the key properties of 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one?
1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one has a molecular weight of 362.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one is sourced from PubChem (CID 53019485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).