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

C10H16N4O3 — CID 79479739

IUPAC6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2(CO)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-13-8(16)7(12-14(2)9(13)17)11-5-10(6-15)3-4-10/h15H,3-6H2,1-2H3,(H,11,12)
InChIKeyJBUKXCHPOAQBNP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.34
Rot. Bonds4

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

6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 79479739) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID79479739
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2(CO)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-13-8(16)7(12-14(2)9(13)17)11-5-10(6-15)3-4-10/h15H,3-6H2,1-2H3,(H,11,12)
InChIKeyJBUKXCHPOAQBNP-UHFFFAOYSA-N
XLogP-1.34
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-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-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 79479739) is 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC2(CO)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is JBUKXCHPOAQBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13-8(16)7(12-14(2)9(13)17)11-5-10(6-15)3-4-10/h15H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 79479739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).