5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C13H20N6O2 — CID 66282186

IUPAC5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCCCN2CCOCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C13H20N6O2/c1-10-15-11(9-12-16-17-13(20)19(10)12)14-3-2-4-18-5-7-21-8-6-18/h9,14H,2-8H2,1H3,(H,17,20)
InChIKeyCQHHWFOMNLROBO-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.14
Rot. Bonds5

About 5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282186) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282186
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCCCN2CCOCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C13H20N6O2/c1-10-15-11(9-12-16-17-13(20)19(10)12)14-3-2-4-18-5-7-21-8-6-18/h9,14H,2-8H2,1H3,(H,17,20)
InChIKeyCQHHWFOMNLROBO-UHFFFAOYSA-N
XLogP-0.14
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282186) is 5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NCCCN2CCOCC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is CQHHWFOMNLROBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-10-15-11(9-12-16-17-13(20)19(10)12)14-3-2-4-18-5-7-21-8-6-18/h9,14H,2-8H2,1H3,(H,17,20).
What are the key properties of 5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 292.34 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).