2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol

C13H18N4O — CID 136926765

IUPAC2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
SMILESCCNc1nnc(-c2cc(C)ccc2O)n1CC
InChIInChI=1S/C13H18N4O/c1-4-14-13-16-15-12(17(13)5-2)10-8-9(3)6-7-11(10)18/h6-8,18H,4-5H2,1-3H3,(H,14,16)
InChIKeyYGZXFANJVOSQLQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol

2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol (PubChem CID 136926765) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
PubChem CID136926765
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
SMILESCCNc1nnc(-c2cc(C)ccc2O)n1CC
InChIInChI=1S/C13H18N4O/c1-4-14-13-16-15-12(17(13)5-2)10-8-9(3)6-7-11(10)18/h6-8,18H,4-5H2,1-3H3,(H,14,16)
InChIKeyYGZXFANJVOSQLQ-UHFFFAOYSA-N
XLogP2.41
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136872417
2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136926768
5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-2-methylphenol
CID 112596621
5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107938614
N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
CID 115945502
5-(2-chloro-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596918
5-(2-amino-4-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597577
N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 112596836
N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine
CID 112596812
5-(1,3-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 102801445
5-(1,5-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596670

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol?
The IUPAC name of 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol (CID 136926765) is 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol.
What is the SMILES notation for 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol?
The canonical SMILES for 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol is CCNc1nnc(-c2cc(C)ccc2O)n1CC.
What is the InChIKey of 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol?
The InChIKey is YGZXFANJVOSQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-14-13-16-15-12(17(13)5-2)10-8-9(3)6-7-11(10)18/h6-8,18H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol?
2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol has a molecular weight of 246.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol is sourced from PubChem (CID 136926765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).