(NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine

C10H15N3O — CID 135449177

IUPAC(NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine
SMILESCc1[nH]nc2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C10H15N3O/c1-6-9-7(12-11-6)4-10(2,3)5-8(9)13-14/h14H,4-5H2,1-3H3,(H,11,12)/b13-8-
InChIKeyXGMNWFVIYXUOGP-JYRVWZFOSA-N
MW193.25 g/mol
LogP1.87
Rot. Bonds

About (NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine

(NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine (PubChem CID 135449177) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine
PubChem CID135449177
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine
SMILESCc1[nH]nc2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C10H15N3O/c1-6-9-7(12-11-6)4-10(2,3)5-8(9)13-14/h14H,4-5H2,1-3H3,(H,11,12)/b13-8-
InChIKeyXGMNWFVIYXUOGP-JYRVWZFOSA-N
XLogP1.87
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.87
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-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine (CID 135449177) is (NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine is Cc1[nH]nc2c1/C(=N\O)CC(C)(C)C2.
What is the InChIKey of (NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine?
The InChIKey is XGMNWFVIYXUOGP-JYRVWZFOSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-9-7(12-11-6)4-10(2,3)5-8(9)13-14/h14H,4-5H2,1-3H3,(H,11,12)/b13-8-.
What are the key properties of (NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine?
(NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine has a molecular weight of 193.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 135449177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).