3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide

C6H6N6O2 — CID 137274711

IUPAC3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide
SMILESCn1nnc2c(C(N)=O)n[nH]c2c1=O
InChIInChI=1S/C6H6N6O2/c1-12-6(14)4-2(10-11-12)3(5(7)13)8-9-4/h1H3,(H2,7,13)(H,8,9)
InChIKeyVHNSJQSIMZZYBV-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.85
Rot. Bonds1

About 3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide

3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide (PubChem CID 137274711) has the molecular formula C6H6N6O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is 3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide
PubChem CID137274711
Molecular FormulaC6H6N6O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide
SMILESCn1nnc2c(C(N)=O)n[nH]c2c1=O
InChIInChI=1S/C6H6N6O2/c1-12-6(14)4-2(10-11-12)3(5(7)13)8-9-4/h1H3,(H2,7,13)(H,8,9)
InChIKeyVHNSJQSIMZZYBV-UHFFFAOYSA-N
XLogP-1.85
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide?
The IUPAC name of 3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide (CID 137274711) is 3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide is Cn1nnc2c(C(N)=O)n[nH]c2c1=O.
What is the InChIKey of 3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide?
The InChIKey is VHNSJQSIMZZYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6O2/c1-12-6(14)4-2(10-11-12)3(5(7)13)8-9-4/h1H3,(H2,7,13)(H,8,9).
What are the key properties of 3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide?
3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide has a molecular weight of 194.15 g/mol, XLogP of -1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-5H-pyrazolo[4,3-d]triazine-7-carboxamide is sourced from PubChem (CID 137274711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).