Cycloguanil hydrochloride

C11H15Cl2N5 — CID 9048

IUPAC1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl
InChIInChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H
InChIKeyMOUAPRKJJUXEIE-UHFFFAOYSA-N
MW288.17 g/mol
LogP—
Rot. Bonds1

About Cycloguanil hydrochloride

Cycloguanil hydrochloride (PubChem CID 9048) has the molecular formula C11H15Cl2N5 and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound NameCycloguanil hydrochloride
PubChem CID9048
Molecular FormulaC11H15Cl2N5
Molecular Weight288.17 g/mol
Exact Mass287.07
IUPAC Name1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl
InChIInChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H
InChIKeyMOUAPRKJJUXEIE-UHFFFAOYSA-N
XLogP—
TPSA80.00 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity355

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorhexidine
CID 9552079
Cycloguanil
CID 9049
Proguanil
CID 6178111
Proguanil Hydrochloride
CID 9570076
Chlorhexidine Hydrochloride
CID 9571016
Chlorproguanil
CID 9571037
N1-(4-Chlorophenyl)-N5-isopropylbiguanide
CID 4923
Chlorohexidine
CID 2713
(4-Chlorophenyl)biguanide
CID 19933
1,3,5-Triazine-2,4-diamine, 1-(3,4-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-
CID 25889
6,6-Dimethyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 102185
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride
CID 12498

Frequently Asked Questions

What is the IUPAC name of Cycloguanil hydrochloride?
The IUPAC name of Cycloguanil hydrochloride (CID 9048) is 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for Cycloguanil hydrochloride?
The canonical SMILES for Cycloguanil hydrochloride is CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl.
What is the InChIKey of Cycloguanil hydrochloride?
The InChIKey is MOUAPRKJJUXEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H.
What are the key properties of Cycloguanil hydrochloride?
Cycloguanil hydrochloride has a molecular weight of 288.17 g/mol, XLogP of not available, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Cycloguanil hydrochloride is sourced from PubChem (CID 9048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).