7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C10H12N4O — CID 137004074

IUPAC7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(C3CC3)n2n1
InChIInChI=1S/C10H12N4O/c1-2-8-11-10-12-9(15)5-7(6-3-4-6)14(10)13-8/h5-6H,2-4H2,1H3,(H,11,12,13,15)
InChIKeyXMLQWDAAUINBEL-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.86
Rot. Bonds2

About 7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004074) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004074
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(C3CC3)n2n1
InChIInChI=1S/C10H12N4O/c1-2-8-11-10-12-9(15)5-7(6-3-4-6)14(10)13-8/h5-6H,2-4H2,1H3,(H,11,12,13,15)
InChIKeyXMLQWDAAUINBEL-UHFFFAOYSA-N
XLogP0.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004074) is 7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)cc(C3CC3)n2n1.
What is the InChIKey of 7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is XMLQWDAAUINBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-8-11-10-12-9(15)5-7(6-3-4-6)14(10)13-8/h5-6H,2-4H2,1H3,(H,11,12,13,15).
What are the key properties of 7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 204.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).