4,6-dichloro-1,3,5-triazin-2-amine

C3H2Cl2N4 — CID 13615

IUPAC4,6-dichloro-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C3H2Cl2N4/c4-1-7-2(5)9-3(6)8-1/h(H2,6,7,8,9)
InChIKeyMCLXKFUCPVGZEN-UHFFFAOYSA-N
MW164.98 g/mol
LogP0.76
Rot. Bonds

About 4,6-dichloro-1,3,5-triazin-2-amine

4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 13615) has the molecular formula C3H2Cl2N4 and a molecular weight of 164.98 g/mol. Its IUPAC name is 4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID13615
Molecular FormulaC3H2Cl2N4
Molecular Weight164.98 g/mol
Exact Mass163.97
IUPAC Name4,6-dichloro-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C3H2Cl2N4/c4-1-7-2(5)9-3(6)8-1/h(H2,6,7,8,9)
InChIKeyMCLXKFUCPVGZEN-UHFFFAOYSA-N
XLogP0.76
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.98
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-1,3,5-triazin-2-amine (CID 13615) is 4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is MCLXKFUCPVGZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2N4/c4-1-7-2(5)9-3(6)8-1/h(H2,6,7,8,9).
What are the key properties of 4,6-dichloro-1,3,5-triazin-2-amine?
4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 164.98 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 13615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).