1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine

C11H19N5 — CID 114788026

IUPAC1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(c2nnc(C)c(C)n2)C1
InChIInChI=1S/C11H19N5/c1-4-5-11(12)6-16(7-11)10-13-8(2)9(3)14-15-10/h4-7,12H2,1-3H3
InChIKeyNUCPLBHGPLBQBS-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.81
Rot. Bonds3

About 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine

1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine (PubChem CID 114788026) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine
PubChem CID114788026
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(c2nnc(C)c(C)n2)C1
InChIInChI=1S/C11H19N5/c1-4-5-11(12)6-16(7-11)10-13-8(2)9(3)14-15-10/h4-7,12H2,1-3H3
InChIKeyNUCPLBHGPLBQBS-UHFFFAOYSA-N
XLogP0.81
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine?
The IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine (CID 114788026) is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine.
What is the SMILES notation for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine?
The canonical SMILES for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine is CCCC1(N)CN(c2nnc(C)c(C)n2)C1.
What is the InChIKey of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine?
The InChIKey is NUCPLBHGPLBQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-4-5-11(12)6-16(7-11)10-13-8(2)9(3)14-15-10/h4-7,12H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine?
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine has a molecular weight of 221.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-propylazetidin-3-amine is sourced from PubChem (CID 114788026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).