7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane

C18H19N5O — CID 138992021

IUPAC7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane
SMILESc1ccc(-c2cc(N3CCC4(CCO4)CC3)n3ncnc3n2)cc1
InChIInChI=1S/C18H19N5O/c1-2-4-14(5-3-1)15-12-16(23-17(21-15)19-13-20-23)22-9-6-18(7-10-22)8-11-24-18/h1-5,12-13H,6-11H2
InChIKeyIQANSWHWYKZZMN-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.55
Rot. Bonds2

About 7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane

7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane (PubChem CID 138992021) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane
PubChem CID138992021
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane
SMILESc1ccc(-c2cc(N3CCC4(CCO4)CC3)n3ncnc3n2)cc1
InChIInChI=1S/C18H19N5O/c1-2-4-14(5-3-1)15-12-16(23-17(21-15)19-13-20-23)22-9-6-18(7-10-22)8-11-24-18/h1-5,12-13H,6-11H2
InChIKeyIQANSWHWYKZZMN-UHFFFAOYSA-N
XLogP2.55
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413447
N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
CID 127616496
4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
CID 127652721
2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 127470262
5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75369292
[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 78799878
7-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 648498
[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 3227252
(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95649125
2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133272950
1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
CID 133390857
7-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133288349

Frequently Asked Questions

What is the IUPAC name of 7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane (CID 138992021) is 7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane is c1ccc(-c2cc(N3CCC4(CCO4)CC3)n3ncnc3n2)cc1.
What is the InChIKey of 7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane?
The InChIKey is IQANSWHWYKZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-4-14(5-3-1)15-12-16(23-17(21-15)19-13-20-23)22-9-6-18(7-10-22)8-11-24-18/h1-5,12-13H,6-11H2.
What are the key properties of 7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane?
7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane has a molecular weight of 321.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 138992021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).