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

C10H11Cl2N5 — CID 112597206

IUPAC5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cc(Cl)c(N)c(Cl)c2)n1C
InChIInChI=1S/C10H11Cl2N5/c1-14-10-16-15-9(17(10)2)5-3-6(11)8(13)7(12)4-5/h3-4H,13H2,1-2H3,(H,14,16)
InChIKeyWATRHFBCENBHED-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.41
Rot. Bonds2

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

5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112597206) has the molecular formula C10H11Cl2N5 and a molecular weight of 272.14 g/mol. Its IUPAC name is 5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112597206
Molecular FormulaC10H11Cl2N5
Molecular Weight272.14 g/mol
Exact Mass271.04
IUPAC Name5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cc(Cl)c(N)c(Cl)c2)n1C
InChIInChI=1S/C10H11Cl2N5/c1-14-10-16-15-9(17(10)2)5-3-6(11)8(13)7(12)4-5/h3-4H,13H2,1-2H3,(H,14,16)
InChIKeyWATRHFBCENBHED-UHFFFAOYSA-N
XLogP2.41
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112597206) is 5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(-c2cc(Cl)c(N)c(Cl)c2)n1C.
What is the InChIKey of 5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is WATRHFBCENBHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5/c1-14-10-16-15-9(17(10)2)5-3-6(11)8(13)7(12)4-5/h3-4H,13H2,1-2H3,(H,14,16).
What are the key properties of 5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 272.14 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).