5-methyl-7-nitroso-1H-indazole

C8H7N3O — CID 89040724

IUPAC5-methyl-7-nitroso-1H-indazole
SMILESCc1cc(N=O)c2[nH]ncc2c1
InChIInChI=1S/C8H7N3O/c1-5-2-6-4-9-10-8(6)7(3-5)11-12/h2-4H,1H3,(H,9,10)
InChIKeyVCQBZIQQSXOROW-UHFFFAOYSA-N
MW161.16 g/mol
LogP2.27
Rot. Bonds1

About 5-methyl-7-nitroso-1H-indazole

5-methyl-7-nitroso-1H-indazole (PubChem CID 89040724) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-methyl-7-nitroso-1H-indazole.

Molecular Properties

Compound Name5-methyl-7-nitroso-1H-indazole
PubChem CID89040724
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-methyl-7-nitroso-1H-indazole
SMILESCc1cc(N=O)c2[nH]ncc2c1
InChIInChI=1S/C8H7N3O/c1-5-2-6-4-9-10-8(6)7(3-5)11-12/h2-4H,1H3,(H,9,10)
InChIKeyVCQBZIQQSXOROW-UHFFFAOYSA-N
XLogP2.27
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-nitroso-1H-indazole?
The IUPAC name of 5-methyl-7-nitroso-1H-indazole (CID 89040724) is 5-methyl-7-nitroso-1H-indazole.
What is the SMILES notation for 5-methyl-7-nitroso-1H-indazole?
The canonical SMILES for 5-methyl-7-nitroso-1H-indazole is Cc1cc(N=O)c2[nH]ncc2c1.
What is the InChIKey of 5-methyl-7-nitroso-1H-indazole?
The InChIKey is VCQBZIQQSXOROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-2-6-4-9-10-8(6)7(3-5)11-12/h2-4H,1H3,(H,9,10).
What are the key properties of 5-methyl-7-nitroso-1H-indazole?
5-methyl-7-nitroso-1H-indazole has a molecular weight of 161.16 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-nitroso-1H-indazole is sourced from PubChem (CID 89040724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).