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

C12H17N5O — CID 136872417

IUPAC2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
SMILESCCNc1nnc(-c2ccc(O)c(N)c2)n1CC
InChIInChI=1S/C12H17N5O/c1-3-14-12-16-15-11(17(12)4-2)8-5-6-10(18)9(13)7-8/h5-7,18H,3-4,13H2,1-2H3,(H,14,16)
InChIKeyVZWLOSXIIVQBMX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.68
Rot. Bonds4

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

2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol (PubChem CID 136872417) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
PubChem CID136872417
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
SMILESCCNc1nnc(-c2ccc(O)c(N)c2)n1CC
InChIInChI=1S/C12H17N5O/c1-3-14-12-16-15-11(17(12)4-2)8-5-6-10(18)9(13)7-8/h5-7,18H,3-4,13H2,1-2H3,(H,14,16)
InChIKeyVZWLOSXIIVQBMX-UHFFFAOYSA-N
XLogP1.68
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-amino-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597491
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
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
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
5-(3-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597550
5-(2-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597483
4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
CID 114039678
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
5-(3-bromo-5-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 104851072

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol (CID 136872417) is 2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol is CCNc1nnc(-c2ccc(O)c(N)c2)n1CC.
What is the InChIKey of 2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol?
The InChIKey is VZWLOSXIIVQBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-14-12-16-15-11(17(12)4-2)8-5-6-10(18)9(13)7-8/h5-7,18H,3-4,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol?
2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol has a molecular weight of 247.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 136872417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).