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

C14H20Cl3N5O — CID 44522969

IUPAC1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCC1(CC)N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H19Cl2N5O.ClH/c1-3-14(4-2)20-12(17)19-13(18)21(14)22-8-9-5-6-10(15)11(16)7-9;/h5-7H,3-4,8H2,1-2H3,(H4,17,18,19,20);1H
InChIKeyAMHKBCRJKNJCMJ-UHFFFAOYSA-N
MW380.71 g/mol
LogP3.31
Rot. Bonds5

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

1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 44522969) has the molecular formula C14H20Cl3N5O and a molecular weight of 380.71 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID44522969
Molecular FormulaC14H20Cl3N5O
Molecular Weight380.71 g/mol
Exact Mass379.07
IUPAC Name1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCC1(CC)N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H19Cl2N5O.ClH/c1-3-14(4-2)20-12(17)19-13(18)21(14)22-8-9-5-6-10(15)11(16)7-9;/h5-7H,3-4,8H2,1-2H3,(H4,17,18,19,20);1H
InChIKeyAMHKBCRJKNJCMJ-UHFFFAOYSA-N
XLogP3.31
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.71
LogP ≤ 53.31
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-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 44522969) is 1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride is CCC1(CC)N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is AMHKBCRJKNJCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N5O.ClH/c1-3-14(4-2)20-12(17)19-13(18)21(14)22-8-9-5-6-10(15)11(16)7-9;/h5-7H,3-4,8H2,1-2H3,(H4,17,18,19,20);1H.
What are the key properties of 1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
1-[(3,4-dichlorophenyl)methoxy]-6,6-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 380.71 g/mol, XLogP of 3.31, 5 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-diethyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44522969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).