7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H16N6O — CID 66281571

IUPAC7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCN(CCNC1CC1)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H16N6O/c1-16(5-4-12-8-2-3-8)9-6-10-14-15-11(18)17(10)7-13-9/h6-8,12H,2-5H2,1H3,(H,15,18)
InChIKeyIYYUKRGOTHYJQO-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.39
Rot. Bonds5

About 7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281571) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281571
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCN(CCNC1CC1)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H16N6O/c1-16(5-4-12-8-2-3-8)9-6-10-14-15-11(18)17(10)7-13-9/h6-8,12H,2-5H2,1H3,(H,15,18)
InChIKeyIYYUKRGOTHYJQO-UHFFFAOYSA-N
XLogP-0.39
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281571) is 7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CN(CCNC1CC1)c1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is IYYUKRGOTHYJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-16(5-4-12-8-2-3-8)9-6-10-14-15-11(18)17(10)7-13-9/h6-8,12H,2-5H2,1H3,(H,15,18).
What are the key properties of 7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).