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

C12H15ClN4O — CID 136926768

IUPAC2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
SMILESCCNc1nnc(-c2ccc(O)c(Cl)c2)n1CC
InChIInChI=1S/C12H15ClN4O/c1-3-14-12-16-15-11(17(12)4-2)8-5-6-10(18)9(13)7-8/h5-7,18H,3-4H2,1-2H3,(H,14,16)
InChIKeyVGQVPAVJZLWVOJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.76
Rot. Bonds4

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

2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol (PubChem CID 136926768) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
PubChem CID136926768
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
SMILESCCNc1nnc(-c2ccc(O)c(Cl)c2)n1CC
InChIInChI=1S/C12H15ClN4O/c1-3-14-12-16-15-11(17(12)4-2)8-5-6-10(18)9(13)7-8/h5-7,18H,3-4H2,1-2H3,(H,14,16)
InChIKeyVGQVPAVJZLWVOJ-UHFFFAOYSA-N
XLogP2.76
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136872417
5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-2-methylphenol
CID 112596621
N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine
CID 112596797
2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
CID 136926765
4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
CID 114039678
5-(3-amino-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597491
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
5-(2-chloro-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596918
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-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597405

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol (CID 136926768) is 2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol is CCNc1nnc(-c2ccc(O)c(Cl)c2)n1CC.
What is the InChIKey of 2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol?
The InChIKey is VGQVPAVJZLWVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-3-14-12-16-15-11(17(12)4-2)8-5-6-10(18)9(13)7-8/h5-7,18H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol?
2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol has a molecular weight of 266.73 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 136926768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).