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

C15H25N5O — CID 69044125

IUPAC6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCC(CCCCc1cnc2ncnn2c1N)COC
InChIInChI=1S/C15H25N5O/c1-3-6-12(10-21-2)7-4-5-8-13-9-17-15-18-11-19-20(15)14(13)16/h9,11-12H,3-8,10,16H2,1-2H3
InChIKeyGVPGBQVLNLFVJI-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.48
Rot. Bonds9

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

6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69044125) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID69044125
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCC(CCCCc1cnc2ncnn2c1N)COC
InChIInChI=1S/C15H25N5O/c1-3-6-12(10-21-2)7-4-5-8-13-9-17-15-18-11-19-20(15)14(13)16/h9,11-12H,3-8,10,16H2,1-2H3
InChIKeyGVPGBQVLNLFVJI-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 69044125) is 6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCC(CCCCc1cnc2ncnn2c1N)COC.
What is the InChIKey of 6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GVPGBQVLNLFVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-6-12(10-21-2)7-4-5-8-13-9-17-15-18-11-19-20(15)14(13)16/h9,11-12H,3-8,10,16H2,1-2H3.
What are the key properties of 6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.40 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(methoxymethyl)octyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69044125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).