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

C15H17N3O — CID 648430

IUPACN-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
SMILESCCc1n[nH]c2c1C(=NO)CC(c1ccccc1)C2
InChIInChI=1S/C15H17N3O/c1-2-12-15-13(17-16-12)8-11(9-14(15)18-19)10-6-4-3-5-7-10/h3-7,11,19H,2,8-9H2,1H3,(H,16,17)
InChIKeyISILGQRKZHKECV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.88
Rot. Bonds2

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

N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine (PubChem CID 648430) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
PubChem CID648430
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
SMILESCCc1n[nH]c2c1C(=NO)CC(c1ccccc1)C2
InChIInChI=1S/C15H17N3O/c1-2-12-15-13(17-16-12)8-11(9-14(15)18-19)10-6-4-3-5-7-10/h3-7,11,19H,2,8-9H2,1H3,(H,16,17)
InChIKeyISILGQRKZHKECV-UHFFFAOYSA-N
XLogP2.88
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.88
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 N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The IUPAC name of N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine (CID 648430) is N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine is CCc1n[nH]c2c1C(=NO)CC(c1ccccc1)C2.
What is the InChIKey of N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
The InChIKey is ISILGQRKZHKECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-12-15-13(17-16-12)8-11(9-14(15)18-19)10-6-4-3-5-7-10/h3-7,11,19H,2,8-9H2,1H3,(H,16,17).
What are the key properties of N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine?
N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine has a molecular weight of 255.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-6-phenyl-1,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 648430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).