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

C12H18ClN5 — CID 44522487

IUPAC1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCCCC1N=C(N)N=C(N)N1c1ccccc1.Cl
InChIInChI=1S/C12H17N5.ClH/c1-2-6-10-15-11(13)16-12(14)17(10)9-7-4-3-5-8-9;/h3-5,7-8,10H,2,6H2,1H3,(H4,13,14,15,16);1H
InChIKeyKZMILUKFPNLZGB-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.68
Rot. Bonds3

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

1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 44522487) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID44522487
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCCCC1N=C(N)N=C(N)N1c1ccccc1.Cl
InChIInChI=1S/C12H17N5.ClH/c1-2-6-10-15-11(13)16-12(14)17(10)9-7-4-3-5-8-9;/h3-5,7-8,10H,2,6H2,1H3,(H4,13,14,15,16);1H
InChIKeyKZMILUKFPNLZGB-UHFFFAOYSA-N
XLogP1.68
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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 1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 44522487) is 1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is CCCC1N=C(N)N=C(N)N1c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is KZMILUKFPNLZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5.ClH/c1-2-6-10-15-11(13)16-12(14)17(10)9-7-4-3-5-8-9;/h3-5,7-8,10H,2,6H2,1H3,(H4,13,14,15,16);1H.
What are the key properties of 1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 44522487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).