N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide

C11H11Cl2N5 — CID 70629079

IUPACN-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide
SMILESC/N=C(/N(C)c1cc(Cl)ccc1Cl)n1cncn1
InChIInChI=1S/C11H11Cl2N5/c1-14-11(18-7-15-6-16-18)17(2)10-5-8(12)3-4-9(10)13/h3-7H,1-2H3/b14-11-
InChIKeyZLYASZLKDZWQIC-KAMYIIQDSA-N
MW284.15 g/mol
LogP2.56
Rot. Bonds1

About N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide

N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide (PubChem CID 70629079) has the molecular formula C11H11Cl2N5 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide
PubChem CID70629079
Molecular FormulaC11H11Cl2N5
Molecular Weight284.15 g/mol
Exact Mass283.04
IUPAC NameN-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide
SMILESC/N=C(/N(C)c1cc(Cl)ccc1Cl)n1cncn1
InChIInChI=1S/C11H11Cl2N5/c1-14-11(18-7-15-6-16-18)17(2)10-5-8(12)3-4-9(10)13/h3-7H,1-2H3/b14-11-
InChIKeyZLYASZLKDZWQIC-KAMYIIQDSA-N
XLogP2.56
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide (CID 70629079) is N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide is C/N=C(/N(C)c1cc(Cl)ccc1Cl)n1cncn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide?
The InChIKey is ZLYASZLKDZWQIC-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H11Cl2N5/c1-14-11(18-7-15-6-16-18)17(2)10-5-8(12)3-4-9(10)13/h3-7H,1-2H3/b14-11-.
What are the key properties of N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide?
N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide has a molecular weight of 284.15 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N,N'-dimethyl-1,2,4-triazole-1-carboximidamide is sourced from PubChem (CID 70629079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).