4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile

C15H17N5O — CID 128998417

IUPAC4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
SMILESCCn1cnnc1C1CN(c2ccc(C#N)cc2)CCO1
InChIInChI=1S/C15H17N5O/c1-2-19-11-17-18-15(19)14-10-20(7-8-21-14)13-5-3-12(9-16)4-6-13/h3-6,11,14H,2,7-8,10H2,1H3
InChIKeyUMAXFEPEQGXIJK-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.75
Rot. Bonds3

About 4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile

4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile (PubChem CID 128998417) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
PubChem CID128998417
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
SMILESCCn1cnnc1C1CN(c2ccc(C#N)cc2)CCO1
InChIInChI=1S/C15H17N5O/c1-2-19-11-17-18-15(19)14-10-20(7-8-21-14)13-5-3-12(9-16)4-6-13/h3-6,11,14H,2,7-8,10H2,1H3
InChIKeyUMAXFEPEQGXIJK-UHFFFAOYSA-N
XLogP1.75
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile?
The IUPAC name of 4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile (CID 128998417) is 4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile is CCn1cnnc1C1CN(c2ccc(C#N)cc2)CCO1.
What is the InChIKey of 4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile?
The InChIKey is UMAXFEPEQGXIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-19-11-17-18-15(19)14-10-20(7-8-21-14)13-5-3-12(9-16)4-6-13/h3-6,11,14H,2,7-8,10H2,1H3.
What are the key properties of 4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile?
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile has a molecular weight of 283.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile is sourced from PubChem (CID 128998417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).