6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione

C10H16N4O3 — CID 113294055

IUPAC6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2(CO)CCCC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-6-10(3-1-2-4-10)5-11-7-8(16)12-9(17)14-13-7/h15H,1-6H2,(H,11,13)(H2,12,14,16,17)
InChIKeyPMNNSEOYPAGADG-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.58
Rot. Bonds4

About 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione

6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 113294055) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID113294055
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2(CO)CCCC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-6-10(3-1-2-4-10)5-11-7-8(16)12-9(17)14-13-7/h15H,1-6H2,(H,11,13)(H2,12,14,16,17)
InChIKeyPMNNSEOYPAGADG-UHFFFAOYSA-N
XLogP-0.58
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-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

Related Compounds

6-[(1-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 61221501
6-[3-(2-hydroxyethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 62358303
6-[(1-methylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 63821057
6-[(2-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 64911041
6-[(2-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65836135
6-[[2-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65925677
6-[(3-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103269717
6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103703715
6-[[2-(hydroxymethyl)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103705020
6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103705310
6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103746149
6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103765009

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione (CID 113294055) is 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC2(CO)CCCC2)c(=O)[nH]1.
What is the InChIKey of 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PMNNSEOYPAGADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-6-10(3-1-2-4-10)5-11-7-8(16)12-9(17)14-13-7/h15H,1-6H2,(H,11,13)(H2,12,14,16,17).
What are the key properties of 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 113294055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).