1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride

C12H17Cl2N5 — CID 44522492

IUPAC1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H16ClN5.ClH/c1-2-3-10-16-11(14)17-12(15)18(10)9-6-4-8(13)5-7-9;/h4-7,10H,2-3H2,1H3,(H4,14,15,16,17);1H
InChIKeyLAWFEMLORNBTLL-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride

1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 44522492) has the molecular formula C12H17Cl2N5 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID44522492
Molecular FormulaC12H17Cl2N5
Molecular Weight302.21 g/mol
Exact Mass301.09
IUPAC Name1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H16ClN5.ClH/c1-2-3-10-16-11(14)17-12(15)18(10)9-6-4-8(13)5-7-9;/h4-7,10H,2-3H2,1H3,(H4,14,15,16,17);1H
InChIKeyLAWFEMLORNBTLL-UHFFFAOYSA-N
XLogP2.34
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 44522492) is 1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is CCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is LAWFEMLORNBTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5.ClH/c1-2-3-10-16-11(14)17-12(15)18(10)9-6-4-8(13)5-7-9;/h4-7,10H,2-3H2,1H3,(H4,14,15,16,17);1H.
What are the key properties of 1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 302.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 44522492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).