7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one

C6H5N5O2 — CID 135962789

IUPAC7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one
SMILESCc1nn2ncc(=O)[nH]c2c1N=O
InChIInChI=1S/C6H5N5O2/c1-3-5(10-13)6-8-4(12)2-7-11(6)9-3/h2H,1H3,(H,8,12)
InChIKeyLHMXGUAIXAQNKP-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.12
Rot. Bonds1

About 7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one

7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one (PubChem CID 135962789) has the molecular formula C6H5N5O2 and a molecular weight of 179.14 g/mol. Its IUPAC name is 7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one.

Molecular Properties

Compound Name7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one
PubChem CID135962789
Molecular FormulaC6H5N5O2
Molecular Weight179.14 g/mol
Exact Mass179.04
IUPAC Name7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one
SMILESCc1nn2ncc(=O)[nH]c2c1N=O
InChIInChI=1S/C6H5N5O2/c1-3-5(10-13)6-8-4(12)2-7-11(6)9-3/h2H,1H3,(H,8,12)
InChIKeyLHMXGUAIXAQNKP-UHFFFAOYSA-N
XLogP0.12
TPSA92.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one?
The IUPAC name of 7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one (CID 135962789) is 7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one.
What is the SMILES notation for 7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one?
The canonical SMILES for 7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one is Cc1nn2ncc(=O)[nH]c2c1N=O.
What is the InChIKey of 7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one?
The InChIKey is LHMXGUAIXAQNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2/c1-3-5(10-13)6-8-4(12)2-7-11(6)9-3/h2H,1H3,(H,8,12).
What are the key properties of 7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one?
7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one has a molecular weight of 179.14 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-nitroso-1H-pyrazolo[1,5-b][1,2,4]triazin-2-one is sourced from PubChem (CID 135962789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).