5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C7H9N5O — CID 130287508

IUPAC5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(C)c1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C7H9N5O/c1-11(2)5-3-6(13)12-7(10-5)8-4-9-12/h3-4H,1-2H3,(H,8,9,10)
InChIKeyVCHLIRHEGNLAKA-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.52
Rot. Bonds1

About 5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 130287508) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID130287508
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(C)c1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C7H9N5O/c1-11(2)5-3-6(13)12-7(10-5)8-4-9-12/h3-4H,1-2H3,(H,8,9,10)
InChIKeyVCHLIRHEGNLAKA-UHFFFAOYSA-N
XLogP-0.52
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 130287508) is 5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CN(C)c1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VCHLIRHEGNLAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-11(2)5-3-6(13)12-7(10-5)8-4-9-12/h3-4H,1-2H3,(H,8,9,10).
What are the key properties of 5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 179.18 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130287508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).