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

C13H17FN4 — CID 112596797

IUPACN,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccc(C)c(F)c2)n1CC
InChIInChI=1S/C13H17FN4/c1-4-15-13-17-16-12(18(13)5-2)10-7-6-9(3)11(14)8-10/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyIWKDDNHNABVJRM-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.84
Rot. Bonds4

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

N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine (PubChem CID 112596797) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine
PubChem CID112596797
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC NameN,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccc(C)c(F)c2)n1CC
InChIInChI=1S/C13H17FN4/c1-4-15-13-17-16-12(18(13)5-2)10-7-6-9(3)11(14)8-10/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyIWKDDNHNABVJRM-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-amino-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597491
5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-2-methylphenol
CID 112596621
5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596641
2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136872417
4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
CID 114039678
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 112596836
5-(3-bromo-5-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 104851072
5-(2-chloro-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596918
5-(3-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597550
N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596811
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 N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine (CID 112596797) is N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine is CCNc1nnc(-c2ccc(C)c(F)c2)n1CC.
What is the InChIKey of N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine?
The InChIKey is IWKDDNHNABVJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-4-15-13-17-16-12(18(13)5-2)10-7-6-9(3)11(14)8-10/h6-8H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine has a molecular weight of 248.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).