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

C8H13N5O2 — CID 63252359

IUPAC6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESNC1CCCC1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N5O2/c9-4-2-1-3-5(4)10-6-7(14)11-8(15)13-12-6/h4-5H,1-3,9H2,(H,10,12)(H2,11,13,14,15)
InChIKeyUADSQCPBXAAZBR-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.25
Rot. Bonds2

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

6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 63252359) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID63252359
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESNC1CCCC1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N5O2/c9-4-2-1-3-5(4)10-6-7(14)11-8(15)13-12-6/h4-5H,1-3,9H2,(H,10,12)(H2,11,13,14,15)
InChIKeyUADSQCPBXAAZBR-UHFFFAOYSA-N
XLogP-1.25
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[(2-aminocyclopentyl)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-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 63252359) is 6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione is NC1CCCC1Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is UADSQCPBXAAZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-4-2-1-3-5(4)10-6-7(14)11-8(15)13-12-6/h4-5H,1-3,9H2,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 211.22 g/mol, XLogP of -1.25, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63252359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).