5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine

C10H11Cl2N5 — CID 86298263

IUPAC5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1n[nH]c(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C10H11Cl2N5/c1-17(2)10-14-9(15-16-10)13-8-4-6(11)3-7(12)5-8/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyYDYMZMXULDQNOA-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.92
Rot. Bonds3

About 5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine

5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 86298263) has the molecular formula C10H11Cl2N5 and a molecular weight of 272.14 g/mol. Its IUPAC name is 5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID86298263
Molecular FormulaC10H11Cl2N5
Molecular Weight272.14 g/mol
Exact Mass271.04
IUPAC Name5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1n[nH]c(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C10H11Cl2N5/c1-17(2)10-14-9(15-16-10)13-8-4-6(11)3-7(12)5-8/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyYDYMZMXULDQNOA-UHFFFAOYSA-N
XLogP2.92
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine (CID 86298263) is 5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine is CN(C)c1n[nH]c(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is YDYMZMXULDQNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5/c1-17(2)10-14-9(15-16-10)13-8-4-6(11)3-7(12)5-8/h3-5H,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine?
5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 272.14 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dichlorophenyl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 86298263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).