(NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine

C9H13N3O — CID 135415460

IUPAC(NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
SMILESCCc1n[nH]c2c1/C(=N/O)CCC2
InChIInChI=1S/C9H13N3O/c1-2-6-9-7(11-10-6)4-3-5-8(9)12-13/h13H,2-5H2,1H3,(H,10,11)/b12-8+
InChIKeyAHBUGPSNJPVRFM-XYOKQWHBSA-N
MW179.22 g/mol
LogP1.49
Rot. Bonds1

About (NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine

(NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine (PubChem CID 135415460) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
PubChem CID135415460
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
SMILESCCc1n[nH]c2c1/C(=N/O)CCC2
InChIInChI=1S/C9H13N3O/c1-2-6-9-7(11-10-6)4-3-5-8(9)12-13/h13H,2-5H2,1H3,(H,10,11)/b12-8+
InChIKeyAHBUGPSNJPVRFM-XYOKQWHBSA-N
XLogP1.49
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.49
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 (NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine (CID 135415460) is (NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine is CCc1n[nH]c2c1/C(=N/O)CCC2.
What is the InChIKey of (NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The InChIKey is AHBUGPSNJPVRFM-XYOKQWHBSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-6-9-7(11-10-6)4-3-5-8(9)12-13/h13H,2-5H2,1H3,(H,10,11)/b12-8+.
What are the key properties of (NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
(NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-ethyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 135415460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).