2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

C15H17N5O3 — CID 133347018

IUPAC2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCOCc1cc(N2CCOC(c3ccco3)C2)n2ncnc2n1
InChIInChI=1S/C15H17N5O3/c1-21-9-11-7-14(20-15(18-11)16-10-17-20)19-4-6-23-13(8-19)12-3-2-5-22-12/h2-3,5,7,10,13H,4,6,8-9H2,1H3
InChIKeyHXVPKIMJGYWLMG-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.44
Rot. Bonds4

About 2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 133347018) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID133347018
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCOCc1cc(N2CCOC(c3ccco3)C2)n2ncnc2n1
InChIInChI=1S/C15H17N5O3/c1-21-9-11-7-14(20-15(18-11)16-10-17-20)19-4-6-23-13(8-19)12-3-2-5-22-12/h2-3,5,7,10,13H,4,6,8-9H2,1H3
InChIKeyHXVPKIMJGYWLMG-UHFFFAOYSA-N
XLogP1.44
TPSA77.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126900419
7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133311255
2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine
CID 133330365
(2S)-2-(3-chlorophenyl)-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 99821872
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031
7-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126947093
3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol
CID 133289444
N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133287347
5-(methoxymethyl)-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874378
5-(methoxymethyl)-7-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126911773
5-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]pyridin-2-amine
CID 133304099
6-tert-butyl-3-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910816

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 133347018) is 2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is COCc1cc(N2CCOC(c3ccco3)C2)n2ncnc2n1.
What is the InChIKey of 2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is HXVPKIMJGYWLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-21-9-11-7-14(20-15(18-11)16-10-17-20)19-4-6-23-13(8-19)12-3-2-5-22-12/h2-3,5,7,10,13H,4,6,8-9H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 315.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 133347018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).