tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate

C17H20N6O2S — CID 58446995

IUPACtert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2ncc(-c3cccs3)n3cnnc23)C1
InChIInChI=1S/C17H20N6O2S/c1-17(2,3)25-16(24)20-11-8-22(9-11)14-15-21-19-10-23(15)12(7-18-14)13-5-4-6-26-13/h4-7,10-11H,8-9H2,1-3H3,(H,20,24)
InChIKeyQACFZZDPRHQIJP-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.57
Rot. Bonds3

About tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate

tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate (PubChem CID 58446995) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate
PubChem CID58446995
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Nametert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2ncc(-c3cccs3)n3cnnc23)C1
InChIInChI=1S/C17H20N6O2S/c1-17(2,3)25-16(24)20-11-8-22(9-11)14-15-21-19-10-23(15)12(7-18-14)13-5-4-6-26-13/h4-7,10-11H,8-9H2,1-3H3,(H,20,24)
InChIKeyQACFZZDPRHQIJP-UHFFFAOYSA-N
XLogP2.57
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[1-(12-chloro-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)azetidin-3-yl]carbamate
CID 131741444
tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
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N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine
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N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride
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tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen
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tert-butyl N-[1-(5-bromo-2-pyridinyl)azetidin-3-yl]carbamate
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tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
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tert-butyl N-[(3R,5S)-1-(8-cyanopyrido[4,3-d]pyrimidin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129240762
tert-butyl N-[(3R,5S)-1-(8-methoxy-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate (CID 58446995) is tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CN(c2ncc(-c3cccs3)n3cnnc23)C1.
What is the InChIKey of tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate?
The InChIKey is QACFZZDPRHQIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-17(2,3)25-16(24)20-11-8-22(9-11)14-15-21-19-10-23(15)12(7-18-14)13-5-4-6-26-13/h4-7,10-11H,8-9H2,1-3H3,(H,20,24).
What are the key properties of tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate?
tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate has a molecular weight of 372.45 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]carbamate is sourced from PubChem (CID 58446995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).