2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C9H13N5O3 — CID 125453857

IUPAC2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1nc2nc(N)[nH]n2c(=O)c1OC(C)C
InChIInChI=1S/C9H13N5O3/c1-4(2)17-5-6(16-3)11-9-12-8(10)13-14(9)7(5)15/h4H,1-3H3,(H3,10,11,12,13)
InChIKeySZEGRSFEZUGIIJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.20
Rot. Bonds3

About 2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 125453857) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID125453857
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1nc2nc(N)[nH]n2c(=O)c1OC(C)C
InChIInChI=1S/C9H13N5O3/c1-4(2)17-5-6(16-3)11-9-12-8(10)13-14(9)7(5)15/h4H,1-3H3,(H3,10,11,12,13)
InChIKeySZEGRSFEZUGIIJ-UHFFFAOYSA-N
XLogP-0.20
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 125453857) is 2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1nc2nc(N)[nH]n2c(=O)c1OC(C)C.
What is the InChIKey of 2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SZEGRSFEZUGIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-4(2)17-5-6(16-3)11-9-12-8(10)13-14(9)7(5)15/h4H,1-3H3,(H3,10,11,12,13).
What are the key properties of 2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 239.23 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-6-propan-2-yloxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 125453857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).