6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione

C10H17N5O2 — CID 63304045

IUPAC6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCCN(c1n[nH]c(=O)[nH]c1=O)C1CCNC1
InChIInChI=1S/C10H17N5O2/c1-2-5-15(7-3-4-11-6-7)8-9(16)12-10(17)14-13-8/h7,11H,2-6H2,1H3,(H2,12,14,16,17)
InChIKeyYUOAKXFLBJBWIG-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.96
Rot. Bonds4

About 6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione

6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 63304045) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID63304045
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCCN(c1n[nH]c(=O)[nH]c1=O)C1CCNC1
InChIInChI=1S/C10H17N5O2/c1-2-5-15(7-3-4-11-6-7)8-9(16)12-10(17)14-13-8/h7,11H,2-6H2,1H3,(H2,12,14,16,17)
InChIKeyYUOAKXFLBJBWIG-UHFFFAOYSA-N
XLogP-0.96
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[propyl(pyrrolidin-3-yl)amino]-2H-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-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 63304045) is 6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is CCCN(c1n[nH]c(=O)[nH]c1=O)C1CCNC1.
What is the InChIKey of 6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is YUOAKXFLBJBWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-5-15(7-3-4-11-6-7)8-9(16)12-10(17)14-13-8/h7,11H,2-6H2,1H3,(H2,12,14,16,17).
What are the key properties of 6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63304045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).