5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C7H8N4O — CID 13396557

IUPAC5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(N)cc(=O)n2[nH]1
InChIInChI=1S/C7H8N4O/c1-4-2-6-9-5(8)3-7(12)11(6)10-4/h2-3,10H,8H2,1H3
InChIKeyAEMCADJRSPHSGC-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.09
Rot. Bonds

About 5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 13396557) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID13396557
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(N)cc(=O)n2[nH]1
InChIInChI=1S/C7H8N4O/c1-4-2-6-9-5(8)3-7(12)11(6)10-4/h2-3,10H,8H2,1H3
InChIKeyAEMCADJRSPHSGC-UHFFFAOYSA-N
XLogP-0.09
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 13396557) is 5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(N)cc(=O)n2[nH]1.
What is the InChIKey of 5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AEMCADJRSPHSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-2-6-9-5(8)3-7(12)11(6)10-4/h2-3,10H,8H2,1H3.
What are the key properties of 5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 164.17 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 13396557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).