2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide

C14H15ClN4O3 — CID 175823976

IUPAC2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide
SMILESNC(=O)CC1COC(c2cn(-c3ccc(Cl)cc3)nn2)OC1
InChIInChI=1S/C14H15ClN4O3/c15-10-1-3-11(4-2-10)19-6-12(17-18-19)14-21-7-9(8-22-14)5-13(16)20/h1-4,6,9,14H,5,7-8H2,(H2,16,20)
InChIKeyHVEQSKQGHXVOGY-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.46
Rot. Bonds4

About 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide

2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide (PubChem CID 175823976) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide
PubChem CID175823976
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide
SMILESNC(=O)CC1COC(c2cn(-c3ccc(Cl)cc3)nn2)OC1
InChIInChI=1S/C14H15ClN4O3/c15-10-1-3-11(4-2-10)19-6-12(17-18-19)14-21-7-9(8-22-14)5-13(16)20/h1-4,6,9,14H,5,7-8H2,(H2,16,20)
InChIKeyHVEQSKQGHXVOGY-UHFFFAOYSA-N
XLogP1.46
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide?
The IUPAC name of 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide (CID 175823976) is 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide?
The canonical SMILES for 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide is NC(=O)CC1COC(c2cn(-c3ccc(Cl)cc3)nn2)OC1.
What is the InChIKey of 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide?
The InChIKey is HVEQSKQGHXVOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c15-10-1-3-11(4-2-10)19-6-12(17-18-19)14-21-7-9(8-22-14)5-13(16)20/h1-4,6,9,14H,5,7-8H2,(H2,16,20).
What are the key properties of 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide?
2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide has a molecular weight of 322.75 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-chlorophenyl)triazol-4-yl]-1,3-dioxan-5-yl]acetamide is sourced from PubChem (CID 175823976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).