1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine

C18H24N6 — CID 72889557

IUPAC1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine
SMILESCCn1cc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)cn1
InChIInChI=1S/C18H24N6/c1-5-23-11-15(10-19-23)12-24-13-18(20-21-24)17-8-6-7-16(9-17)14(2)22(3)4/h6-11,13-14H,5,12H2,1-4H3
InChIKeyMLTFMMRGKVYCPB-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.83
Rot. Bonds6

About 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine

1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine (PubChem CID 72889557) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine
PubChem CID72889557
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine
SMILESCCn1cc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)cn1
InChIInChI=1S/C18H24N6/c1-5-23-11-15(10-19-23)12-24-13-18(20-21-24)17-8-6-7-16(9-17)14(2)22(3)4/h6-11,13-14H,5,12H2,1-4H3
InChIKeyMLTFMMRGKVYCPB-UHFFFAOYSA-N
XLogP2.83
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine 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 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine?
The IUPAC name of 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine (CID 72889557) is 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine is CCn1cc(Cn2cc(-c3cccc(C(C)N(C)C)c3)nn2)cn1.
What is the InChIKey of 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine?
The InChIKey is MLTFMMRGKVYCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-5-23-11-15(10-19-23)12-24-13-18(20-21-24)17-8-6-7-16(9-17)14(2)22(3)4/h6-11,13-14H,5,12H2,1-4H3.
What are the key properties of 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine?
1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine has a molecular weight of 324.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 72889557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).