5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H25N5O — CID 11522134

IUPAC5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCCCCc1c(COC)nc2ncnn2c1N
InChIInChI=1S/C15H25N5O/c1-3-4-5-6-7-8-9-12-13(10-21-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3
InChIKeyDVFMMTVLRXUNNI-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.76
Rot. Bonds9

About 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11522134) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID11522134
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCCCCc1c(COC)nc2ncnn2c1N
InChIInChI=1S/C15H25N5O/c1-3-4-5-6-7-8-9-12-13(10-21-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3
InChIKeyDVFMMTVLRXUNNI-UHFFFAOYSA-N
XLogP2.76
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 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 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 11522134) is 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCCCCCCc1c(COC)nc2ncnn2c1N.
What is the InChIKey of 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DVFMMTVLRXUNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-4-5-6-7-8-9-12-13(10-21-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.40 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11522134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).