2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C9H12N4O — CID 666943

IUPAC2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C)nc2n1
InChIInChI=1S/C9H12N4O/c1-3-4-7-5-8(14)13-9(11-7)10-6(2)12-13/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyVTTFXMKEDKMVDG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.68
Rot. Bonds2

About 2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 666943) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID666943
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(C)nc2n1
InChIInChI=1S/C9H12N4O/c1-3-4-7-5-8(14)13-9(11-7)10-6(2)12-13/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyVTTFXMKEDKMVDG-UHFFFAOYSA-N
XLogP0.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 666943) is 2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(C)nc2n1.
What is the InChIKey of 2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VTTFXMKEDKMVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-4-7-5-8(14)13-9(11-7)10-6(2)12-13/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 192.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 666943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).