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

C9H13N5O — CID 130287498

IUPAC2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N(C)C)nc2n1
InChIInChI=1S/C9H13N5O/c1-4-6-5-7(15)14-8(10-6)11-9(12-14)13(2)3/h5H,4H2,1-3H3,(H,10,11,12)
InChIKeyANIJFXKHBWPGGC-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.05
Rot. Bonds2

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

2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 130287498) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID130287498
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N(C)C)nc2n1
InChIInChI=1S/C9H13N5O/c1-4-6-5-7(15)14-8(10-6)11-9(12-14)13(2)3/h5H,4H2,1-3H3,(H,10,11,12)
InChIKeyANIJFXKHBWPGGC-UHFFFAOYSA-N
XLogP0.05
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 130287498) is 2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(N(C)C)nc2n1.
What is the InChIKey of 2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ANIJFXKHBWPGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-4-6-5-7(15)14-8(10-6)11-9(12-14)13(2)3/h5H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 207.24 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130287498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).