2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol

C18H20N6OS — CID 72875698

IUPAC2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESCCCn1nc(Cc2cccs2)nc1-c1cnn2cc(CCO)cnc12
InChIInChI=1S/C18H20N6OS/c1-2-6-23-18(21-16(22-23)9-14-4-3-8-26-14)15-11-20-24-12-13(5-7-25)10-19-17(15)24/h3-4,8,10-12,25H,2,5-7,9H2,1H3
InChIKeyBJPITBYIKKPANW-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.58
Rot. Bonds7

About 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol

2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol (PubChem CID 72875698) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol
PubChem CID72875698
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESCCCn1nc(Cc2cccs2)nc1-c1cnn2cc(CCO)cnc12
InChIInChI=1S/C18H20N6OS/c1-2-6-23-18(21-16(22-23)9-14-4-3-8-26-14)15-11-20-24-12-13(5-7-25)10-19-17(15)24/h3-4,8,10-12,25H,2,5-7,9H2,1H3
InChIKeyBJPITBYIKKPANW-UHFFFAOYSA-N
XLogP2.58
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol with MolForge

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Related Compounds

2-[5-(2-morpholin-4-ylpyrimidin-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]ethanol
CID 72897243
1-[[2-(2-hydroxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 131951315
2-[5-(propan-2-ylsulfanylmethyl)-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]ethanol
CID 72869901
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 94587586
N-[[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62757503
2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol
CID 56704340
pentane;2-thiophen-2-ylethanol
CID 70273807
N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine
CID 105148145
4-propyl-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid
CID 55079363
2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 5303940
1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70725779

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol?
The IUPAC name of 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol (CID 72875698) is 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol?
The canonical SMILES for 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol is CCCn1nc(Cc2cccs2)nc1-c1cnn2cc(CCO)cnc12.
What is the InChIKey of 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol?
The InChIKey is BJPITBYIKKPANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-2-6-23-18(21-16(22-23)9-14-4-3-8-26-14)15-11-20-24-12-13(5-7-25)10-19-17(15)24/h3-4,8,10-12,25H,2,5-7,9H2,1H3.
What are the key properties of 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol?
2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol has a molecular weight of 368.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-propyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 72875698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).