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

C11H15N5O — CID 66283546

IUPAC7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC(C)C2CC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H15N5O/c1-6(8-3-4-8)12-9-5-10-14-15-11(17)16(10)7(2)13-9/h5-6,8,12H,3-4H2,1-2H3,(H,15,17)
InChIKeyNQQVZMBUTPXKFL-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.94
Rot. Bonds3

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

7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283546) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283546
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC(C)C2CC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C11H15N5O/c1-6(8-3-4-8)12-9-5-10-14-15-11(17)16(10)7(2)13-9/h5-6,8,12H,3-4H2,1-2H3,(H,15,17)
InChIKeyNQQVZMBUTPXKFL-UHFFFAOYSA-N
XLogP0.94
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283546) is 7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NC(C)C2CC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is NQQVZMBUTPXKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-6(8-3-4-8)12-9-5-10-14-15-11(17)16(10)7(2)13-9/h5-6,8,12H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 233.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).