1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide

C14H16N8OS — CID 90557836

IUPAC1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESCCn1nnc2c(N3CC(C(=O)Nc4ncc(C)s4)C3)ncnc21
InChIInChI=1S/C14H16N8OS/c1-3-22-12-10(19-20-22)11(16-7-17-12)21-5-9(6-21)13(23)18-14-15-4-8(2)24-14/h4,7,9H,3,5-6H2,1-2H3,(H,15,18,23)
InChIKeyYWYAXNWJTQLQFV-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.08
Rot. Bonds4

About 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide

1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide (PubChem CID 90557836) has the molecular formula C14H16N8OS and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
PubChem CID90557836
Molecular FormulaC14H16N8OS
Molecular Weight344.40 g/mol
Exact Mass344.12
IUPAC Name1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESCCn1nnc2c(N3CC(C(=O)Nc4ncc(C)s4)C3)ncnc21
InChIInChI=1S/C14H16N8OS/c1-3-22-12-10(19-20-22)11(16-7-17-12)21-5-9(6-21)13(23)18-14-15-4-8(2)24-14/h4,7,9H,3,5-6H2,1-2H3,(H,15,18,23)
InChIKeyYWYAXNWJTQLQFV-UHFFFAOYSA-N
XLogP1.08
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide (CID 90557836) is 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide is CCn1nnc2c(N3CC(C(=O)Nc4ncc(C)s4)C3)ncnc21.
What is the InChIKey of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is YWYAXNWJTQLQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8OS/c1-3-22-12-10(19-20-22)11(16-7-17-12)21-5-9(6-21)13(23)18-14-15-4-8(2)24-14/h4,7,9H,3,5-6H2,1-2H3,(H,15,18,23).
What are the key properties of 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?
1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90557836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).