N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine

C18H25N5 — CID 112942585

IUPACN-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN(Cc1ccccc1)c1nncc(N2CCC(C)CC2)n1
InChIInChI=1S/C18H25N5/c1-3-22(14-16-7-5-4-6-8-16)18-20-17(13-19-21-18)23-11-9-15(2)10-12-23/h4-8,13,15H,3,9-12,14H2,1-2H3
InChIKeyXJZUIKPJYGBALA-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.13
Rot. Bonds5

About N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine

N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112942585) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112942585
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN(Cc1ccccc1)c1nncc(N2CCC(C)CC2)n1
InChIInChI=1S/C18H25N5/c1-3-22(14-16-7-5-4-6-8-16)18-20-17(13-19-21-18)23-11-9-15(2)10-12-23/h4-8,13,15H,3,9-12,14H2,1-2H3
InChIKeyXJZUIKPJYGBALA-UHFFFAOYSA-N
XLogP3.13
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112942585) is N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is CCN(Cc1ccccc1)c1nncc(N2CCC(C)CC2)n1.
What is the InChIKey of N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is XJZUIKPJYGBALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-3-22(14-16-7-5-4-6-8-16)18-20-17(13-19-21-18)23-11-9-15(2)10-12-23/h4-8,13,15H,3,9-12,14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 311.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112942585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).