6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H21N5O2 — CID 63759493

IUPAC6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCCC2CCCN)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N5O2/c1-15-11(18)10(14-16(2)12(15)19)17-8-4-6-9(17)5-3-7-13/h9H,3-8,13H2,1-2H3
InChIKeyGAUWJNZYCYAONV-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.81
Rot. Bonds4

About 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 63759493) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID63759493
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCCC2CCCN)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N5O2/c1-15-11(18)10(14-16(2)12(15)19)17-8-4-6-9(17)5-3-7-13/h9H,3-8,13H2,1-2H3
InChIKeyGAUWJNZYCYAONV-UHFFFAOYSA-N
XLogP-0.81
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione 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 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 63759493) is 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCCC2CCCN)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is GAUWJNZYCYAONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-15-11(18)10(14-16(2)12(15)19)17-8-4-6-9(17)5-3-7-13/h9H,3-8,13H2,1-2H3.
What are the key properties of 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 267.33 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63759493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).