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

C15H25N5O — CID 69051630

IUPAC6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCC(CCCC(C)c1cnc2ncnn2c1N)OC
InChIInChI=1S/C15H25N5O/c1-4-6-12(21-3)8-5-7-11(2)13-9-17-15-18-10-19-20(15)14(13)16/h9-12H,4-8,16H2,1-3H3
InChIKeyIQNJTIDSXHAQME-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.80
Rot. Bonds8

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

6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69051630) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID69051630
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCC(CCCC(C)c1cnc2ncnn2c1N)OC
InChIInChI=1S/C15H25N5O/c1-4-6-12(21-3)8-5-7-11(2)13-9-17-15-18-10-19-20(15)14(13)16/h9-12H,4-8,16H2,1-3H3
InChIKeyIQNJTIDSXHAQME-UHFFFAOYSA-N
XLogP2.80
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 69051630) is 6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCC(CCCC(C)c1cnc2ncnn2c1N)OC.
What is the InChIKey of 6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IQNJTIDSXHAQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-6-12(21-3)8-5-7-11(2)13-9-17-15-18-10-19-20(15)14(13)16/h9-12H,4-8,16H2,1-3H3.
What are the key properties of 6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxynonan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69051630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).