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

C15H25N7O2S — CID 91956603

IUPAC5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCS(=O)(=O)N1CCN(CCNc2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C15H25N7O2S/c1-3-10-25(23,24)21-8-6-20(7-9-21)5-4-16-14-11-13(2)19-15-17-12-18-22(14)15/h11-12,16H,3-10H2,1-2H3
InChIKeyWQCQEVSTJDKSRK-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.20
Rot. Bonds7

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

5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 91956603) has the molecular formula C15H25N7O2S and a molecular weight of 367.48 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID91956603
Molecular FormulaC15H25N7O2S
Molecular Weight367.48 g/mol
Exact Mass367.18
IUPAC Name5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCS(=O)(=O)N1CCN(CCNc2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C15H25N7O2S/c1-3-10-25(23,24)21-8-6-20(7-9-21)5-4-16-14-11-13(2)19-15-17-12-18-22(14)15/h11-12,16H,3-10H2,1-2H3
InChIKeyWQCQEVSTJDKSRK-UHFFFAOYSA-N
XLogP0.20
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 33386676
N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106194022
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600
N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 60926639
5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 82944187
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 104973121
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79003007
5-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79040439
5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 113336552
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 91956603) is 5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCS(=O)(=O)N1CCN(CCNc2cc(C)nc3ncnn23)CC1.
What is the InChIKey of 5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WQCQEVSTJDKSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O2S/c1-3-10-25(23,24)21-8-6-20(7-9-21)5-4-16-14-11-13(2)19-15-17-12-18-22(14)15/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 367.48 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 91956603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).