2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride

C9H9Cl2N5 — CID 23616906

IUPAC2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCl.Nc1ncnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C9H8ClN5.ClH/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9;/h1-5H,(H3,11,12,13,14,15);1H
InChIKeyUYCMHUVQSSDLAM-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.27
Rot. Bonds2

About 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride

2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 23616906) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID23616906
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC Name2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCl.Nc1ncnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C9H8ClN5.ClH/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9;/h1-5H,(H3,11,12,13,14,15);1H
InChIKeyUYCMHUVQSSDLAM-UHFFFAOYSA-N
XLogP2.27
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride (CID 23616906) is 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride is Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is UYCMHUVQSSDLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5.ClH/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9;/h1-5H,(H3,11,12,13,14,15);1H.
What are the key properties of 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 258.11 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 23616906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).