5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine

C13H16F2N4 — CID 112596641

IUPAC5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2c(F)ccc(C)c2F)n1CC
InChIInChI=1S/C13H16F2N4/c1-4-16-13-18-17-12(19(13)5-2)10-9(14)7-6-8(3)11(10)15/h6-7H,4-5H2,1-3H3,(H,16,18)
InChIKeyCQXFYYSGLPQDKQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.98
Rot. Bonds4

About 5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine

5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 112596641) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID112596641
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2c(F)ccc(C)c2F)n1CC
InChIInChI=1S/C13H16F2N4/c1-4-16-13-18-17-12(19(13)5-2)10-9(14)7-6-8(3)11(10)15/h6-7H,4-5H2,1-3H3,(H,16,18)
InChIKeyCQXFYYSGLPQDKQ-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine
CID 112596797
5-(3-amino-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597491
5-(2-chloro-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596918
5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-2-methylphenol
CID 112596621
N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596811
5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597405
N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine
CID 112596908
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107938614
5-(5-chloro-2-methoxyphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596709
5-[2-amino-4-(trifluoromethyl)phenyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 115945516
N,4-diethyl-5-(2-methyl-5-nitrophenyl)-1,2,4-triazol-3-amine
CID 115945438

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine (CID 112596641) is 5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(-c2c(F)ccc(C)c2F)n1CC.
What is the InChIKey of 5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is CQXFYYSGLPQDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-4-16-13-18-17-12(19(13)5-2)10-9(14)7-6-8(3)11(10)15/h6-7H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 266.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).