4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C17H22N6 — CID 122194625

IUPAC4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C17H22N6/c1-13-4-3-5-14(12-13)6-7-15-19-16(18)21-17(20-15)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3,(H2,18,19,20,21)/b7-6+
InChIKeyDESJWCUTDLCKLL-VOTSOKGWSA-N
MW310.41 g/mol
LogP1.68
Rot. Bonds3

About 4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 122194625) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID122194625
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C17H22N6/c1-13-4-3-5-14(12-13)6-7-15-19-16(18)21-17(20-15)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3,(H2,18,19,20,21)/b7-6+
InChIKeyDESJWCUTDLCKLL-VOTSOKGWSA-N
XLogP1.68
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 122194625) is 4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is Cc1cccc(/C=C/c2nc(N)nc(N3CCN(C)CC3)n2)c1.
What is the InChIKey of 4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is DESJWCUTDLCKLL-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H22N6/c1-13-4-3-5-14(12-13)6-7-15-19-16(18)21-17(20-15)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3,(H2,18,19,20,21)/b7-6+.
What are the key properties of 4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 310.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 122194625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).