3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine

C15H18Cl2N6 — CID 118239663

IUPAC3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
SMILESCC1(N)CCN(c2nnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C15H18Cl2N6/c1-15(19)5-7-23(8-6-15)14-20-13(18)12(21-22-14)9-3-2-4-10(16)11(9)17/h2-4H,5-8,19H2,1H3,(H2,18,20,22)
InChIKeyVTTSGEFPLPXNHH-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.75
Rot. Bonds2

About 3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine

3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine (PubChem CID 118239663) has the molecular formula C15H18Cl2N6 and a molecular weight of 353.26 g/mol. Its IUPAC name is 3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
PubChem CID118239663
Molecular FormulaC15H18Cl2N6
Molecular Weight353.26 g/mol
Exact Mass352.10
IUPAC Name3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
SMILESCC1(N)CCN(c2nnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C15H18Cl2N6/c1-15(19)5-7-23(8-6-15)14-20-13(18)12(21-22-14)9-3-2-4-10(16)11(9)17/h2-4H,5-8,19H2,1H3,(H2,18,20,22)
InChIKeyVTTSGEFPLPXNHH-UHFFFAOYSA-N
XLogP2.75
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine (CID 118239663) is 3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine is CC1(N)CCN(c2nnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.
What is the InChIKey of 3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is VTTSGEFPLPXNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N6/c1-15(19)5-7-23(8-6-15)14-20-13(18)12(21-22-14)9-3-2-4-10(16)11(9)17/h2-4H,5-8,19H2,1H3,(H2,18,20,22).
What are the key properties of 3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine?
3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 353.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 118239663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).