2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine

C14H18N4O — CID 114686983

IUPAC2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
SMILESNC(CC1CCCO1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H18N4O/c15-13(9-12-7-4-8-19-12)14-10-16-17-18(14)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9,15H2
InChIKeyITRBLBXNVNEBRP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.84
Rot. Bonds4

About 2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine

2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine (PubChem CID 114686983) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
PubChem CID114686983
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
SMILESNC(CC1CCCO1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H18N4O/c15-13(9-12-7-4-8-19-12)14-10-16-17-18(14)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9,15H2
InChIKeyITRBLBXNVNEBRP-UHFFFAOYSA-N
XLogP1.84
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687122
2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687525
3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one
CID 115806425
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 105043604
(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688550
1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 63090070
N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114689023
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 127002582
2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107332163
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine (CID 114686983) is 2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine is NC(CC1CCCO1)c1cnnn1-c1ccccc1.
What is the InChIKey of 2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
The InChIKey is ITRBLBXNVNEBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-13(9-12-7-4-8-19-12)14-10-16-17-18(14)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9,15H2.
What are the key properties of 2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine has a molecular weight of 258.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114686983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).