1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride

C15H16ClN5 — CID 2843890

IUPAC1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCl.NC1=NC(c2ccccc2)N(c2ccccc2)C(N)=N1
InChIInChI=1S/C15H15N5.ClH/c16-14-18-13(11-7-3-1-4-8-11)20(15(17)19-14)12-9-5-2-6-10-12;/h1-10,13H,(H4,16,17,18,19);1H
InChIKeyIZQDNVCXOYHSOS-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.26
Rot. Bonds2

About 1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride

1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 2843890) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID2843890
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCl.NC1=NC(c2ccccc2)N(c2ccccc2)C(N)=N1
InChIInChI=1S/C15H15N5.ClH/c16-14-18-13(11-7-3-1-4-8-11)20(15(17)19-14)12-9-5-2-6-10-12;/h1-10,13H,(H4,16,17,18,19);1H
InChIKeyIZQDNVCXOYHSOS-UHFFFAOYSA-N
XLogP2.26
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 2843890) is 1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is Cl.NC1=NC(c2ccccc2)N(c2ccccc2)C(N)=N1.
What is the InChIKey of 1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is IZQDNVCXOYHSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5.ClH/c16-14-18-13(11-7-3-1-4-8-11)20(15(17)19-14)12-9-5-2-6-10-12;/h1-10,13H,(H4,16,17,18,19);1H.
What are the key properties of 1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 2843890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).