N-[(2-methylindazol-3-yl)methylidene]hydroxylamine

C9H9N3O — CID 827989

IUPACN-[(2-methylindazol-3-yl)methylidene]hydroxylamine
SMILESCn1nc2ccccc2c1C=NO
InChIInChI=1S/C9H9N3O/c1-12-9(6-10-13)7-4-2-3-5-8(7)11-12/h2-6,13H,1H3
InChIKeyFRPRRAWWZVMDJH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.38
Rot. Bonds1

About N-[(2-methylindazol-3-yl)methylidene]hydroxylamine

N-[(2-methylindazol-3-yl)methylidene]hydroxylamine (PubChem CID 827989) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N-[(2-methylindazol-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-methylindazol-3-yl)methylidene]hydroxylamine
PubChem CID827989
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN-[(2-methylindazol-3-yl)methylidene]hydroxylamine
SMILESCn1nc2ccccc2c1C=NO
InChIInChI=1S/C9H9N3O/c1-12-9(6-10-13)7-4-2-3-5-8(7)11-12/h2-6,13H,1H3
InChIKeyFRPRRAWWZVMDJH-UHFFFAOYSA-N
XLogP1.38
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

3-fluoro-2-methylindazole
CID 151822934
2,3-dimethylindazole;ethane
CID 142199070
(2-methylindazol-3-yl)boronic acid
CID 57416388
N-(acridin-9-ylmethylidene)hydroxylamine
CID 173111257
N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 18173
(NE)-N-[(2-methylquinazolin-4-yl)methylidene]hydroxylamine
CID 136951407
2-methylindazole-3-carbothioamide
CID 83387103
(NE)-N-(quinazolin-4-ylmethylidene)hydroxylamine
CID 136952912
(2-methylindazol-3-yl)-phenylmethanone
CID 11658728
N-methyl-1-(2-methylindazol-3-yl)methanamine
CID 84717612
3-formylindazole-2-carboxylic acid
CID 141418516
2-propan-2-ylindazole-3-carbaldehyde
CID 96625601

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylindazol-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-methylindazol-3-yl)methylidene]hydroxylamine (CID 827989) is N-[(2-methylindazol-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-methylindazol-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-methylindazol-3-yl)methylidene]hydroxylamine is Cn1nc2ccccc2c1C=NO.
What is the InChIKey of N-[(2-methylindazol-3-yl)methylidene]hydroxylamine?
The InChIKey is FRPRRAWWZVMDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-9(6-10-13)7-4-2-3-5-8(7)11-12/h2-6,13H,1H3.
What are the key properties of N-[(2-methylindazol-3-yl)methylidene]hydroxylamine?
N-[(2-methylindazol-3-yl)methylidene]hydroxylamine has a molecular weight of 175.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylindazol-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 827989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).