7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C8H11N5O2 — CID 66284106

IUPAC7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNCCOc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C8H11N5O2/c1-9-2-3-15-7-4-6-11-12-8(14)13(6)5-10-7/h4-5,9H,2-3H2,1H3,(H,12,14)
InChIKeySNBPHVXBGUVXAP-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.98
Rot. Bonds4

About 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66284106) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66284106
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNCCOc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C8H11N5O2/c1-9-2-3-15-7-4-6-11-12-8(14)13(6)5-10-7/h4-5,9H,2-3H2,1H3,(H,12,14)
InChIKeySNBPHVXBGUVXAP-UHFFFAOYSA-N
XLogP-0.98
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one 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 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66284106) is 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CNCCOc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is SNBPHVXBGUVXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-9-2-3-15-7-4-6-11-12-8(14)13(6)5-10-7/h4-5,9H,2-3H2,1H3,(H,12,14).
What are the key properties of 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 209.21 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66284106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).