2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol

C13H19N5O2 — CID 133324043

IUPAC2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
SMILESCOCc1cc(NCC2CCCC2O)n2ncnc2n1
InChIInChI=1S/C13H19N5O2/c1-20-7-10-5-12(18-13(17-10)15-8-16-18)14-6-9-3-2-4-11(9)19/h5,8-9,11,14,19H,2-4,6-7H2,1H3
InChIKeyXYAMBPBTMRTAOW-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.84
Rot. Bonds5

About 2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol

2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 133324043) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
PubChem CID133324043
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
SMILESCOCc1cc(NCC2CCCC2O)n2ncnc2n1
InChIInChI=1S/C13H19N5O2/c1-20-7-10-5-12(18-13(17-10)15-8-16-18)14-6-9-3-2-4-11(9)19/h5,8-9,11,14,19H,2-4,6-7H2,1H3
InChIKeyXYAMBPBTMRTAOW-UHFFFAOYSA-N
XLogP0.84
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol (CID 133324043) is 2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol is COCc1cc(NCC2CCCC2O)n2ncnc2n1.
What is the InChIKey of 2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is XYAMBPBTMRTAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-20-7-10-5-12(18-13(17-10)15-8-16-18)14-6-9-3-2-4-11(9)19/h5,8-9,11,14,19H,2-4,6-7H2,1H3.
What are the key properties of 2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol?
2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 277.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 133324043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).