7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H11N7O — CID 114253413

IUPAC7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1cc(N)nn1-c1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C10H11N7O/c1-5-3-7(11)15-17(5)8-4-9-13-14-10(18)16(9)6(2)12-8/h3-4H,1-2H3,(H2,11,15)(H,14,18)
InChIKeyZDJOUZATQPZPSC-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.20
Rot. Bonds1

About 7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 114253413) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID114253413
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1cc(N)nn1-c1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C10H11N7O/c1-5-3-7(11)15-17(5)8-4-9-13-14-10(18)16(9)6(2)12-8/h3-4H,1-2H3,(H2,11,15)(H,14,18)
InChIKeyZDJOUZATQPZPSC-UHFFFAOYSA-N
XLogP-0.20
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
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 7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 114253413) is 7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1cc(N)nn1-c1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is ZDJOUZATQPZPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c1-5-3-7(11)15-17(5)8-4-9-13-14-10(18)16(9)6(2)12-8/h3-4H,1-2H3,(H2,11,15)(H,14,18).
What are the key properties of 7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 245.25 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-5-methylpyrazol-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 114253413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).