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

C9H11N5O — CID 66281789

IUPAC7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC2CC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C9H11N5O/c1-5-10-7(11-6-2-3-6)4-8-12-13-9(15)14(5)8/h4,6,11H,2-3H2,1H3,(H,13,15)
InChIKeyMUFRUUPZGMEMNL-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.30
Rot. Bonds2

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

7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281789) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281789
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC2CC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C9H11N5O/c1-5-10-7(11-6-2-3-6)4-8-12-13-9(15)14(5)8/h4,6,11H,2-3H2,1H3,(H,13,15)
InChIKeyMUFRUUPZGMEMNL-UHFFFAOYSA-N
XLogP0.30
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281789) is 7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NC2CC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MUFRUUPZGMEMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5-10-7(11-6-2-3-6)4-8-12-13-9(15)14(5)8/h4,6,11H,2-3H2,1H3,(H,13,15).
What are the key properties of 7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 205.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).