5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C18H20FN5 — CID 143268175

IUPAC5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCN(C)c1ccc(-c2nnc(N(C)c3ccc(F)cc3)n2C)cc1
InChIInChI=1S/C18H20FN5/c1-22(2)15-9-5-13(6-10-15)17-20-21-18(24(17)4)23(3)16-11-7-14(19)8-12-16/h5-12H,1-4H3
InChIKeyHQYALSRZZABPLJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.46
Rot. Bonds4

About 5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 143268175) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID143268175
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCN(C)c1ccc(-c2nnc(N(C)c3ccc(F)cc3)n2C)cc1
InChIInChI=1S/C18H20FN5/c1-22(2)15-9-5-13(6-10-15)17-20-21-18(24(17)4)23(3)16-11-7-14(19)8-12-16/h5-12H,1-4H3
InChIKeyHQYALSRZZABPLJ-UHFFFAOYSA-N
XLogP3.46
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 17384096
4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 3228104
N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline
CID 11522389
4-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-N,N-dimethylaniline
CID 14093519
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
N-[1-(4-fluorophenyl)ethyl]-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 46669540
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
CID 78812410
5-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-ol
CID 110922476
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile
CID 78764746
4-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-4-yl]-N,N-diphenylaniline
CID 102388194
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-fluoro-N-methyl-N-phenylaniline
CID 54288754

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 143268175) is 5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CN(C)c1ccc(-c2nnc(N(C)c3ccc(F)cc3)n2C)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is HQYALSRZZABPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-22(2)15-9-5-13(6-10-15)17-20-21-18(24(17)4)23(3)16-11-7-14(19)8-12-16/h5-12H,1-4H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 325.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 143268175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).