(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine

C15H21N5O — CID 114688550

IUPAC(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine
SMILESCCN1CCOC(C(N)c2cnnn2-c2ccccc2)C1
InChIInChI=1S/C15H21N5O/c1-2-19-8-9-21-14(11-19)15(16)13-10-17-18-20(13)12-6-4-3-5-7-12/h3-7,10,14-15H,2,8-9,11,16H2,1H3
InChIKeyPTBJPTJVSLKLKS-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.99
Rot. Bonds4

About (4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine

(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 114688550) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID114688550
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine
SMILESCCN1CCOC(C(N)c2cnnn2-c2ccccc2)C1
InChIInChI=1S/C15H21N5O/c1-2-19-8-9-21-14(11-19)15(16)13-10-17-18-20(13)12-6-4-3-5-7-12/h3-7,10,14-15H,2,8-9,11,16H2,1H3
InChIKeyPTBJPTJVSLKLKS-UHFFFAOYSA-N
XLogP0.99
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688558
(4-ethylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 79667032
(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine
CID 79666525
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114657772
phenyl-(4-propylmorpholin-2-yl)methanamine
CID 79657763
(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
CID 107005033
(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanamine
CID 79667280
(4-ethylmorpholin-2-yl)-(4-propylphenyl)methanamine
CID 79666018
2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114686983
3-[amino-(4-ethylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine
CID 79666192
isoquinolin-4-yl-(4-propylmorpholin-2-yl)methanamine
CID 79663744
1-(4-ethylmorpholin-2-yl)-2-pyridin-4-ylethanamine
CID 79666705

Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine (CID 114688550) is (4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine is CCN1CCOC(C(N)c2cnnn2-c2ccccc2)C1.
What is the InChIKey of (4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is PTBJPTJVSLKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-19-8-9-21-14(11-19)15(16)13-10-17-18-20(13)12-6-4-3-5-7-12/h3-7,10,14-15H,2,8-9,11,16H2,1H3.
What are the key properties of (4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine?
(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 287.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).