N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C17H26N6O3S — CID 46971935

IUPACN-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCS(=O)(=O)N2CCCCC2C)nc2ncnn12
InChIInChI=1S/C17H26N6O3S/c1-12(2)15-10-14(21-17-19-11-20-23(15)17)16(24)18-7-9-27(25,26)22-8-5-4-6-13(22)3/h10-13H,4-9H2,1-3H3,(H,18,24)
InChIKeyZDTPCJRCMSXXTF-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.18
Rot. Bonds6

About N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 46971935) has the molecular formula C17H26N6O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID46971935
Molecular FormulaC17H26N6O3S
Molecular Weight394.50 g/mol
Exact Mass394.18
IUPAC NameN-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCS(=O)(=O)N2CCCCC2C)nc2ncnn12
InChIInChI=1S/C17H26N6O3S/c1-12(2)15-10-14(21-17-19-11-20-23(15)17)16(24)18-7-9-27(25,26)22-8-5-4-6-13(22)3/h10-13H,4-9H2,1-3H3,(H,18,24)
InChIKeyZDTPCJRCMSXXTF-UHFFFAOYSA-N
XLogP1.18
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 46971935) is N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)NCCS(=O)(=O)N2CCCCC2C)nc2ncnn12.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is ZDTPCJRCMSXXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3S/c1-12(2)15-10-14(21-17-19-11-20-23(15)17)16(24)18-7-9-27(25,26)22-8-5-4-6-13(22)3/h10-13H,4-9H2,1-3H3,(H,18,24).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 46971935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).