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

C12H16Cl3N5O — CID 44522873

IUPAC1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCCC1N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H15Cl2N5O.ClH/c1-2-10-17-11(15)18-12(16)19(10)20-6-7-3-4-8(13)9(14)5-7;/h3-5,10H,2,6H2,1H3,(H4,15,16,17,18);1H
InChIKeyTZIDUOIWXJTSPO-UHFFFAOYSA-N
MW352.65 g/mol
LogP2.53
Rot. Bonds4

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

1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 44522873) has the molecular formula C12H16Cl3N5O and a molecular weight of 352.65 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID44522873
Molecular FormulaC12H16Cl3N5O
Molecular Weight352.65 g/mol
Exact Mass351.04
IUPAC Name1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCCC1N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H15Cl2N5O.ClH/c1-2-10-17-11(15)18-12(16)19(10)20-6-7-3-4-8(13)9(14)5-7;/h3-5,10H,2,6H2,1H3,(H4,15,16,17,18);1H
InChIKeyTZIDUOIWXJTSPO-UHFFFAOYSA-N
XLogP2.53
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 44522873) is 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is CCC1N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is TZIDUOIWXJTSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5O.ClH/c1-2-10-17-11(15)18-12(16)19(10)20-6-7-3-4-8(13)9(14)5-7;/h3-5,10H,2,6H2,1H3,(H4,15,16,17,18);1H.
What are the key properties of 1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
1-[(3,4-dichlorophenyl)methoxy]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 352.65 g/mol, XLogP of 2.53, 4 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]-2-ethyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 44522873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).