1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

C12H16Cl3N5O — CID 14274724

IUPAC1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H15Cl2N5O.ClH/c1-12(2)18-10(15)17-11(16)19(12)20-6-7-3-4-8(13)9(14)5-7;/h3-5H,6H2,1-2H3,(H4,15,16,17,18);1H
InChIKeyHXLSFPBDEPWQEA-UHFFFAOYSA-N
MW352.65 g/mol
LogP2.53
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 14274724) has the molecular formula C12H16Cl3N5O and a molecular weight of 352.65 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID14274724
Molecular FormulaC12H16Cl3N5O
Molecular Weight352.65 g/mol
Exact Mass351.04
IUPAC Name1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H15Cl2N5O.ClH/c1-12(2)18-10(15)17-11(16)19(12)20-6-7-3-4-8(13)9(14)5-7;/h3-5H,6H2,1-2H3,(H4,15,16,17,18);1H
InChIKeyHXLSFPBDEPWQEA-UHFFFAOYSA-N
XLogP2.53
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.65
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 14274724) is 1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is CC1(C)N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is HXLSFPBDEPWQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5O.ClH/c1-12(2)18-10(15)17-11(16)19(12)20-6-7-3-4-8(13)9(14)5-7;/h3-5H,6H2,1-2H3,(H4,15,16,17,18);1H.
What are the key properties of 1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 352.65 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 14274724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).