4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole

C16H17N5O — CID 56916869

IUPAC4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole
SMILESc1ccc(-n2ncc(Cn3ccnc3C3CCOC3)n2)cc1
InChIInChI=1S/C16H17N5O/c1-2-4-15(5-3-1)21-18-10-14(19-21)11-20-8-7-17-16(20)13-6-9-22-12-13/h1-5,7-8,10,13H,6,9,11-12H2
InChIKeyXQYLZYNQIFPSGV-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.02
Rot. Bonds4

About 4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole

4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole (PubChem CID 56916869) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole.

Molecular Properties

Compound Name4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole
PubChem CID56916869
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole
SMILESc1ccc(-n2ncc(Cn3ccnc3C3CCOC3)n2)cc1
InChIInChI=1S/C16H17N5O/c1-2-4-15(5-3-1)21-18-10-14(19-21)11-20-8-7-17-16(20)13-6-9-22-12-13/h1-5,7-8,10,13H,6,9,11-12H2
InChIKeyXQYLZYNQIFPSGV-UHFFFAOYSA-N
XLogP2.02
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 129483872
3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole
CID 70760707
1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61019320
1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine
CID 29009204
1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103769065
3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 75376279
1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride
CID 119904272
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine
CID 103838747
2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 97325868
1-[(2-phenyltriazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 51116318
N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine
CID 83228649
morpholin-4-yl-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97155138

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole?
The IUPAC name of 4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole (CID 56916869) is 4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole.
What is the SMILES notation for 4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole?
The canonical SMILES for 4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole is c1ccc(-n2ncc(Cn3ccnc3C3CCOC3)n2)cc1.
What is the InChIKey of 4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole?
The InChIKey is XQYLZYNQIFPSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-4-15(5-3-1)21-18-10-14(19-21)11-20-8-7-17-16(20)13-6-9-22-12-13/h1-5,7-8,10,13H,6,9,11-12H2.
What are the key properties of 4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole?
4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole has a molecular weight of 295.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole is sourced from PubChem (CID 56916869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).