N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H24N6O2S — CID 133306577

IUPACN-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n2ncnc2n1
InChIInChI=1S/C19H24N6O2S/c1-2-16-12-18(25-19(23-16)20-14-21-25)22-17-8-10-24(11-9-17)28(26,27)13-15-6-4-3-5-7-15/h3-7,12,14,17,22H,2,8-11,13H2,1H3
InChIKeyQQLWNUVVKRZYCU-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.09
Rot. Bonds6

About N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133306577) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133306577
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n2ncnc2n1
InChIInChI=1S/C19H24N6O2S/c1-2-16-12-18(25-19(23-16)20-14-21-25)22-17-8-10-24(11-9-17)28(26,27)13-15-6-4-3-5-7-15/h3-7,12,14,17,22H,2,8-11,13H2,1H3
InChIKeyQQLWNUVVKRZYCU-UHFFFAOYSA-N
XLogP2.09
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133306577) is N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n2ncnc2n1.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QQLWNUVVKRZYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-2-16-12-18(25-19(23-16)20-14-21-25)22-17-8-10-24(11-9-17)28(26,27)13-15-6-4-3-5-7-15/h3-7,12,14,17,22H,2,8-11,13H2,1H3.
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 400.51 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylsulfonylpiperidin-4-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133306577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).