5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine

C12H15Cl2N5 — CID 112597405

IUPAC5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2cc(Cl)cc(Cl)c2N)n1CC
InChIInChI=1S/C12H15Cl2N5/c1-3-16-12-18-17-11(19(12)4-2)8-5-7(13)6-9(14)10(8)15/h5-6H,3-4,15H2,1-2H3,(H,16,18)
InChIKeyISFOUZZHKAVCOK-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.29
Rot. Bonds4

About 5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine

5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 112597405) has the molecular formula C12H15Cl2N5 and a molecular weight of 300.19 g/mol. Its IUPAC name is 5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID112597405
Molecular FormulaC12H15Cl2N5
Molecular Weight300.19 g/mol
Exact Mass299.07
IUPAC Name5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2cc(Cl)cc(Cl)c2N)n1CC
InChIInChI=1S/C12H15Cl2N5/c1-3-16-12-18-17-11(19(12)4-2)8-5-7(13)6-9(14)10(8)15/h5-6H,3-4,15H2,1-2H3,(H,16,18)
InChIKeyISFOUZZHKAVCOK-UHFFFAOYSA-N
XLogP3.29
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596918
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
5-(5-chloro-2-methoxyphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596709
5-(3-amino-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597491
5-(2-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597483
5-(2-amino-4-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597577
5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596641
2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136926768
5-[2-amino-4-(trifluoromethyl)phenyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 115945516
5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107938614
5-(1,3-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 102801445
N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine
CID 112596888

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine (CID 112597405) is 5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(-c2cc(Cl)cc(Cl)c2N)n1CC.
What is the InChIKey of 5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is ISFOUZZHKAVCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5/c1-3-16-12-18-17-11(19(12)4-2)8-5-7(13)6-9(14)10(8)15/h5-6H,3-4,15H2,1-2H3,(H,16,18).
What are the key properties of 5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine?
5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 300.19 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).