4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

C12H8Cl2N6 — CID 62868995

IUPAC4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2ccccc2Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H8Cl2N6/c13-8-3-1-2-4-9(8)16-11-17-10(14)18-12(19-11)20-6-5-15-7-20/h1-7H,(H,16,17,18,19)
InChIKeyAWRFHGKPBLBBRU-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.11
Rot. Bonds3

About 4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62868995) has the molecular formula C12H8Cl2N6 and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62868995
Molecular FormulaC12H8Cl2N6
Molecular Weight307.14 g/mol
Exact Mass306.02
IUPAC Name4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2ccccc2Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H8Cl2N6/c13-8-3-1-2-4-9(8)16-11-17-10(14)18-12(19-11)20-6-5-15-7-20/h1-7H,(H,16,17,18,19)
InChIKeyAWRFHGKPBLBBRU-UHFFFAOYSA-N
XLogP3.11
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 62868995) is 4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is Clc1nc(Nc2ccccc2Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is AWRFHGKPBLBBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N6/c13-8-3-1-2-4-9(8)16-11-17-10(14)18-12(19-11)20-6-5-15-7-20/h1-7H,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 307.14 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).