4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

C10H12ClN5O — CID 103076139

IUPAC4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1c(Cl)nc2ncnn2c1N1CCOCC1
InChIInChI=1S/C10H12ClN5O/c1-7-8(11)14-10-12-6-13-16(10)9(7)15-2-4-17-5-3-15/h6H,2-5H2,1H3
InChIKeyYUQXPMGTCVUJPV-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.92
Rot. Bonds1

About 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 103076139) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID103076139
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1c(Cl)nc2ncnn2c1N1CCOCC1
InChIInChI=1S/C10H12ClN5O/c1-7-8(11)14-10-12-6-13-16(10)9(7)15-2-4-17-5-3-15/h6H,2-5H2,1H3
InChIKeyYUQXPMGTCVUJPV-UHFFFAOYSA-N
XLogP0.92
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 103076139) is 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is Cc1c(Cl)nc2ncnn2c1N1CCOCC1.
What is the InChIKey of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is YUQXPMGTCVUJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-7-8(11)14-10-12-6-13-16(10)9(7)15-2-4-17-5-3-15/h6H,2-5H2,1H3.
What are the key properties of 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 253.69 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 103076139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).