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

C8H11N5O — CID 166643215

IUPAC5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)Nc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C8H11N5O/c1-5(2)11-6-3-7(14)13-8(12-6)9-4-10-13/h3-5,11H,1-2H3,(H,9,10,12)
InChIKeyXLTXDYDOFLIWRJ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.24
Rot. Bonds2

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

5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 166643215) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID166643215
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)Nc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C8H11N5O/c1-5(2)11-6-3-7(14)13-8(12-6)9-4-10-13/h3-5,11H,1-2H3,(H,9,10,12)
InChIKeyXLTXDYDOFLIWRJ-UHFFFAOYSA-N
XLogP0.24
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 166643215) is 5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)Nc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XLTXDYDOFLIWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(2)11-6-3-7(14)13-8(12-6)9-4-10-13/h3-5,11H,1-2H3,(H,9,10,12).
What are the key properties of 5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 193.21 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 166643215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).