4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

C11H14ClN5O — CID 53212070

IUPAC4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(CCl)nc2n1
InChIInChI=1S/C11H14ClN5O/c1-8-6-10(16-2-4-18-5-3-16)17-11(13-8)14-9(7-12)15-17/h6H,2-5,7H2,1H3
InChIKeyAWCDFXXNPAXJBL-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.01
Rot. Bonds2

About 4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 53212070) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID53212070
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(CCl)nc2n1
InChIInChI=1S/C11H14ClN5O/c1-8-6-10(16-2-4-18-5-3-16)17-11(13-8)14-9(7-12)15-17/h6H,2-5,7H2,1H3
InChIKeyAWCDFXXNPAXJBL-UHFFFAOYSA-N
XLogP1.01
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 53212070) is 4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cc(N2CCOCC2)n2nc(CCl)nc2n1.
What is the InChIKey of 4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is AWCDFXXNPAXJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-8-6-10(16-2-4-18-5-3-16)17-11(13-8)14-9(7-12)15-17/h6H,2-5,7H2,1H3.
What are the key properties of 4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 267.72 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 53212070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).