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

C10H12Cl3N5O — CID 44522978

IUPAC1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCl.NC1=NCN(OCc2ccc(Cl)c(Cl)c2)C(N)=N1
InChIInChI=1S/C10H11Cl2N5O.ClH/c11-7-2-1-6(3-8(7)12)4-18-17-5-15-9(13)16-10(17)14;/h1-3H,4-5H2,(H4,13,14,15,16);1H
InChIKeyGOYBYHFWYWLGQK-UHFFFAOYSA-N
MW324.60 g/mol
LogP1.75
Rot. Bonds3

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

1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 44522978) has the molecular formula C10H12Cl3N5O and a molecular weight of 324.60 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID44522978
Molecular FormulaC10H12Cl3N5O
Molecular Weight324.60 g/mol
Exact Mass323.01
IUPAC Name1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCl.NC1=NCN(OCc2ccc(Cl)c(Cl)c2)C(N)=N1
InChIInChI=1S/C10H11Cl2N5O.ClH/c11-7-2-1-6(3-8(7)12)4-18-17-5-15-9(13)16-10(17)14;/h1-3H,4-5H2,(H4,13,14,15,16);1H
InChIKeyGOYBYHFWYWLGQK-UHFFFAOYSA-N
XLogP1.75
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.60
LogP ≤ 51.75
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]-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 44522978) is 1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride is Cl.NC1=NCN(OCc2ccc(Cl)c(Cl)c2)C(N)=N1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is GOYBYHFWYWLGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5O.ClH/c11-7-2-1-6(3-8(7)12)4-18-17-5-15-9(13)16-10(17)14;/h1-3H,4-5H2,(H4,13,14,15,16);1H.
What are the key properties of 1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 324.60 g/mol, XLogP of 1.75, 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]-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 44522978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).