5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H15N7O — CID 126900419

IUPAC5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CC(n3cccn3)C2)n2ncnc2n1
InChIInChI=1S/C13H15N7O/c1-21-8-10-5-12(20-13(17-10)14-9-16-20)18-6-11(7-18)19-4-2-3-15-19/h2-5,9,11H,6-8H2,1H3
InChIKeyDLDWKZCGMMYNHJ-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.53
Rot. Bonds4

About 5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 126900419) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID126900419
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CC(n3cccn3)C2)n2ncnc2n1
InChIInChI=1S/C13H15N7O/c1-21-8-10-5-12(20-13(17-10)14-9-16-20)18-6-11(7-18)19-4-2-3-15-19/h2-5,9,11H,6-8H2,1H3
InChIKeyDLDWKZCGMMYNHJ-UHFFFAOYSA-N
XLogP0.53
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 126900419) is 5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1cc(N2CC(n3cccn3)C2)n2ncnc2n1.
What is the InChIKey of 5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DLDWKZCGMMYNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-21-8-10-5-12(20-13(17-10)14-9-16-20)18-6-11(7-18)19-4-2-3-15-19/h2-5,9,11H,6-8H2,1H3.
What are the key properties of 5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 285.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126900419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).