(2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone

C16H17N5O3 — CID 126853668

IUPAC(2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone
SMILESCc1cc(OC2CN(C(=O)c3cc(C)oc3C)C2)n2ncnc2n1
InChIInChI=1S/C16H17N5O3/c1-9-4-14(21-16(19-9)17-8-18-21)24-12-6-20(7-12)15(22)13-5-10(2)23-11(13)3/h4-5,8,12H,6-7H2,1-3H3
InChIKeyCNXFTTLQDNCWPO-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.55
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone (PubChem CID 126853668) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone
PubChem CID126853668
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name(2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone
SMILESCc1cc(OC2CN(C(=O)c3cc(C)oc3C)C2)n2ncnc2n1
InChIInChI=1S/C16H17N5O3/c1-9-4-14(21-16(19-9)17-8-18-21)24-12-6-20(7-12)15(22)13-5-10(2)23-11(13)3/h4-5,8,12H,6-7H2,1-3H3
InChIKeyCNXFTTLQDNCWPO-UHFFFAOYSA-N
XLogP1.55
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone (CID 126853668) is (2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone is Cc1cc(OC2CN(C(=O)c3cc(C)oc3C)C2)n2ncnc2n1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone?
The InChIKey is CNXFTTLQDNCWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-9-4-14(21-16(19-9)17-8-18-21)24-12-6-20(7-12)15(22)13-5-10(2)23-11(13)3/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone has a molecular weight of 327.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 126853668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).