6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride

C12H18ClN5 — CID 44522489

IUPAC6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCC1(C)N=C(N)N=C(N)N1c1ccccc1.Cl
InChIInChI=1S/C12H17N5.ClH/c1-3-12(2)16-10(13)15-11(14)17(12)9-7-5-4-6-8-9;/h4-8H,3H2,1-2H3,(H4,13,14,15,16);1H
InChIKeyUZROZHLKWGFZFK-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.68
Rot. Bonds2

About 6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride

6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 44522489) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID44522489
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCC1(C)N=C(N)N=C(N)N1c1ccccc1.Cl
InChIInChI=1S/C12H17N5.ClH/c1-3-12(2)16-10(13)15-11(14)17(12)9-7-5-4-6-8-9;/h4-8H,3H2,1-2H3,(H4,13,14,15,16);1H
InChIKeyUZROZHLKWGFZFK-UHFFFAOYSA-N
XLogP1.68
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 44522489) is 6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride is CCC1(C)N=C(N)N=C(N)N1c1ccccc1.Cl.
What is the InChIKey of 6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is UZROZHLKWGFZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5.ClH/c1-3-12(2)16-10(13)15-11(14)17(12)9-7-5-4-6-8-9;/h4-8H,3H2,1-2H3,(H4,13,14,15,16);1H.
What are the key properties of 6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride?
6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-1-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44522489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).