N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine

C15H22N4 — CID 112596739

IUPACN,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine
SMILESCCNc1nnc(CCc2ccccc2C)n1CC
InChIInChI=1S/C15H22N4/c1-4-16-15-18-17-14(19(15)5-2)11-10-13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyURKKDMFYLXGWLV-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.82
Rot. Bonds6

About N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine

N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine (PubChem CID 112596739) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine
PubChem CID112596739
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine
SMILESCCNc1nnc(CCc2ccccc2C)n1CC
InChIInChI=1S/C15H22N4/c1-4-16-15-18-17-14(19(15)5-2)11-10-13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyURKKDMFYLXGWLV-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
CID 115394754
N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
CID 115945502
N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine
CID 112597376
ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate
CID 112597644
[4-(2-methoxyethyl)-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanol
CID 115395928
[4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 113301649
N,4-dimethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 112596405
3-[2-(2-methylphenyl)ethyl]-4-propan-2-yl-1,2,4-triazole
CID 115393901
N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine
CID 112596935
5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596641
N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine
CID 115945460
N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596811

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine (CID 112596739) is N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine is CCNc1nnc(CCc2ccccc2C)n1CC.
What is the InChIKey of N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine?
The InChIKey is URKKDMFYLXGWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-16-15-18-17-14(19(15)5-2)11-10-13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine?
N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine has a molecular weight of 258.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).