1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C17H17Cl2N5O — CID 1069125

IUPAC1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C17H17Cl2N5O/c1-17(2)23-15(20)22-16(21)24(17)11-5-8-14(13(19)9-11)25-12-6-3-10(18)4-7-12/h3-9H,1-2H3,(H4,20,21,22,23)
InChIKeyDQGSSSLXBXDNFM-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.97
Rot. Bonds3

About 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 1069125) has the molecular formula C17H17Cl2N5O and a molecular weight of 378.26 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID1069125
Molecular FormulaC17H17Cl2N5O
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC Name1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C17H17Cl2N5O/c1-17(2)23-15(20)22-16(21)24(17)11-5-8-14(13(19)9-11)25-12-6-3-10(18)4-7-12/h3-9H,1-2H3,(H4,20,21,22,23)
InChIKeyDQGSSSLXBXDNFM-UHFFFAOYSA-N
XLogP3.97
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 1069125) is 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DQGSSSLXBXDNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O/c1-17(2)23-15(20)22-16(21)24(17)11-5-8-14(13(19)9-11)25-12-6-3-10(18)4-7-12/h3-9H,1-2H3,(H4,20,21,22,23).
What are the key properties of 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 378.26 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-chlorophenoxy)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1069125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).