(NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine

C8H11N3O — CID 135455121

IUPAC(NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
SMILESCc1[nH]nc2c1/C(=N\O)CCC2
InChIInChI=1S/C8H11N3O/c1-5-8-6(10-9-5)3-2-4-7(8)11-12/h12H,2-4H2,1H3,(H,9,10)/b11-7-
InChIKeyBKHTXUNEOCRDTB-XFFZJAGNSA-N
MW165.20 g/mol
LogP1.23
Rot. Bonds

About (NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine

(NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine (PubChem CID 135455121) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
PubChem CID135455121
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
SMILESCc1[nH]nc2c1/C(=N\O)CCC2
InChIInChI=1S/C8H11N3O/c1-5-8-6(10-9-5)3-2-4-7(8)11-12/h12H,2-4H2,1H3,(H,9,10)/b11-7-
InChIKeyBKHTXUNEOCRDTB-XFFZJAGNSA-N
XLogP1.23
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine (CID 135455121) is (NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine is Cc1[nH]nc2c1/C(=N\O)CCC2.
What is the InChIKey of (NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The InChIKey is BKHTXUNEOCRDTB-XFFZJAGNSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-8-6(10-9-5)3-2-4-7(8)11-12/h12H,2-4H2,1H3,(H,9,10)/b11-7-.
What are the key properties of (NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
(NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine has a molecular weight of 165.20 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 135455121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).