2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol

C14H21N5OS — CID 133357454

IUPAC2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1cc(CC)nc2ncnn12
InChIInChI=1S/C14H21N5OS/c1-3-10-7-12(19-13(18-10)16-9-17-19)15-8-14(20)6-5-11(14)21-4-2/h7,9,11,15,20H,3-6,8H2,1-2H3
InChIKeyXCXWPFATYQMXJS-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.75
Rot. Bonds6

About 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol

2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 133357454) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
PubChem CID133357454
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1cc(CC)nc2ncnn12
InChIInChI=1S/C14H21N5OS/c1-3-10-7-12(19-13(18-10)16-9-17-19)15-8-14(20)6-5-11(14)21-4-2/h7,9,11,15,20H,3-6,8H2,1-2H3
InChIKeyXCXWPFATYQMXJS-UHFFFAOYSA-N
XLogP1.75
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 133357835
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 133461626
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
5-ethyl-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311521
5-ethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133365586
1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133271945
2-[1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclobutyl]ethanol
CID 133376094
N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433997
5-(methoxymethyl)-N-[(1-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293719
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 56815508
5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154743615

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol (CID 133357454) is 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol is CCSC1CCC1(O)CNc1cc(CC)nc2ncnn12.
What is the InChIKey of 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is XCXWPFATYQMXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-3-10-7-12(19-13(18-10)16-9-17-19)15-8-14(20)6-5-11(14)21-4-2/h7,9,11,15,20H,3-6,8H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol?
2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 307.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 133357454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).