hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride

C42H41ClN10O3 — CID 172955795

About hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride

hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride (PubChem CID 172955795) has the molecular formula C42H41ClN10O3 and a molecular weight of 769.31 g/mol. Its IUPAC name is hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride.

Molecular Properties

• Compound Name: hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride
• PubChem CID: 172955795
• Molecular Formula: C42H41ClN10O3
• Molecular Weight: 769.31 g/mol
• Exact Mass: 768.31
• IUPAC Name: hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride
• SMILES: C/C(=N/O)c1cc(C)cc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.CC(=O)c1cc(C)cc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.Cl.NO
• InChI: InChI=1S/C21H19N5O.C21H18N4O.ClH.H3NO/c1-13-9-18(15(3)25-27)24-19(10-13)16-7-8-17-12-22-26(20(17)11-16)21-6-4-5-14(2)23-21;1-13-9-18(15(3)26)24-19(10-13)16-7-8-17-12-22-25(20(17)11-16)21-6-4-5-14(2)23-21;;1-2/h4-12,27H,1-3H3;4-12H,1-3H3;1H;2H,1H2/b25-15-
• InChIKey: HEUNRAFLEZEIRD-SOWHOCRSSA-N
• XLogP: 8.36
• TPSA: 183.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	769.31
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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'}

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride?

The IUPAC name of hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride (CID 172955795) is hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride.

What is the SMILES notation for hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride?

The canonical SMILES for hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride is C/C(=N/O)c1cc(C)cc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.CC(=O)c1cc(C)cc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.Cl.NO.

What is the InChIKey of hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride?

The InChIKey is HEUNRAFLEZEIRD-SOWHOCRSSA-N. The full InChI is InChI=1S/C21H19N5O.C21H18N4O.ClH.H3NO/c1-13-9-18(15(3)25-27)24-19(10-13)16-7-8-17-12-22-26(20(17)11-16)21-6-4-5-14(2)23-21;1-13-9-18(15(3)26)24-19(10-13)16-7-8-17-12-22-25(20(17)11-16)21-6-4-5-14(2)23-21;;1-2/h4-12,27H,1-3H3;4-12H,1-3H3;1H;2H,1H2/b25-15-;;;.

What are the key properties of hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride?

hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride has a molecular weight of 769.31 g/mol, XLogP of 8.36, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for hydroxylamine;1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 172955795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).