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

C12H17N5O — CID 53017038

IUPAC4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCCc1c(C)nc2ncnn2c1N1CCOCC1
InChIInChI=1S/C12H17N5O/c1-3-10-9(2)15-12-13-8-14-17(12)11(10)16-4-6-18-7-5-16/h8H,3-7H2,1-2H3
InChIKeyGSSTVJZMONJAGR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.83
Rot. Bonds2

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

4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 53017038) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID53017038
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCCc1c(C)nc2ncnn2c1N1CCOCC1
InChIInChI=1S/C12H17N5O/c1-3-10-9(2)15-12-13-8-14-17(12)11(10)16-4-6-18-7-5-16/h8H,3-7H2,1-2H3
InChIKeyGSSTVJZMONJAGR-UHFFFAOYSA-N
XLogP0.83
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 53017038) is 4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is CCc1c(C)nc2ncnn2c1N1CCOCC1.
What is the InChIKey of 4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is GSSTVJZMONJAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-10-9(2)15-12-13-8-14-17(12)11(10)16-4-6-18-7-5-16/h8H,3-7H2,1-2H3.
What are the key properties of 4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 247.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 53017038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).