4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine

C12H11Cl3N10 — CID 87457442

IUPAC4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine
SMILESClc1nc(Cl)nc(Nc2ccccc2Cl)n1.Nc1nc(N)nc(N)n1
InChIInChI=1S/C9H5Cl3N4.C3H6N6/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;4-1-7-2(5)9-3(6)8-1/h1-4H,(H,13,14,15,16);(H6,4,5,6,7,8,9)
InChIKeyBHFNXIHYSVUNCO-UHFFFAOYSA-N
MW401.65 g/mol
LogP2.19
Rot. Bonds2

About 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine

4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine (PubChem CID 87457442) has the molecular formula C12H11Cl3N10 and a molecular weight of 401.65 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine
PubChem CID87457442
Molecular FormulaC12H11Cl3N10
Molecular Weight401.65 g/mol
Exact Mass400.02
IUPAC Name4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine
SMILESClc1nc(Cl)nc(Nc2ccccc2Cl)n1.Nc1nc(N)nc(N)n1
InChIInChI=1S/C9H5Cl3N4.C3H6N6/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;4-1-7-2(5)9-3(6)8-1/h1-4H,(H,13,14,15,16);(H6,4,5,6,7,8,9)
InChIKeyBHFNXIHYSVUNCO-UHFFFAOYSA-N
XLogP2.19
TPSA167.43 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.65
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine (CID 87457442) is 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine is Clc1nc(Cl)nc(Nc2ccccc2Cl)n1.Nc1nc(N)nc(N)n1.
What is the InChIKey of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine?
The InChIKey is BHFNXIHYSVUNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4.C3H6N6/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;4-1-7-2(5)9-3(6)8-1/h1-4H,(H,13,14,15,16);(H6,4,5,6,7,8,9).
What are the key properties of 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine?
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine has a molecular weight of 401.65 g/mol, XLogP of 2.19, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 87457442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).