N'-hydroxy-1,3-dimethylindazole-5-carboximidamide

C10H12N4O — CID 134478014

IUPACN'-hydroxy-1,3-dimethylindazole-5-carboximidamide
SMILESCc1nn(C)c2ccc(/C(N)=N/O)cc12
InChIInChI=1S/C10H12N4O/c1-6-8-5-7(10(11)13-15)3-4-9(8)14(2)12-6/h3-5,15H,1-2H3,(H2,11,13)
InChIKeyJCJFZRFAYKKATR-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.98
Rot. Bonds1

About N'-hydroxy-1,3-dimethylindazole-5-carboximidamide

N'-hydroxy-1,3-dimethylindazole-5-carboximidamide (PubChem CID 134478014) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N'-hydroxy-1,3-dimethylindazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-dimethylindazole-5-carboximidamide
PubChem CID134478014
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN'-hydroxy-1,3-dimethylindazole-5-carboximidamide
SMILESCc1nn(C)c2ccc(/C(N)=N/O)cc12
InChIInChI=1S/C10H12N4O/c1-6-8-5-7(10(11)13-15)3-4-9(8)14(2)12-6/h3-5,15H,1-2H3,(H2,11,13)
InChIKeyJCJFZRFAYKKATR-UHFFFAOYSA-N
XLogP0.98
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N'-hydroxy-1-methylimidazo[1,5-a]pyridine-6-carboximidamide
CID 83877446
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 81277838
N'-hydroxy-3-methyl-4-(3-methylpyrazol-1-yl)benzenecarboximidamide
CID 76944627
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 77112237
N'-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]indole-5-carboximidamide
CID 107920767
N'-hydroxy-2-methylpyrazolo[1,5-a]pyridine-6-carboximidamide
CID 83877427
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114992916
5-amino-1,3-dimethylindazole-6-carbonitrile
CID 131443365
5-amino-1,3-dimethylindazole-6-carboxylic acid
CID 84722038
3-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 102668481
4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76943324

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,3-dimethylindazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-dimethylindazole-5-carboximidamide (CID 134478014) is N'-hydroxy-1,3-dimethylindazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-dimethylindazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-dimethylindazole-5-carboximidamide is Cc1nn(C)c2ccc(/C(N)=N/O)cc12.
What is the InChIKey of N'-hydroxy-1,3-dimethylindazole-5-carboximidamide?
The InChIKey is JCJFZRFAYKKATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-8-5-7(10(11)13-15)3-4-9(8)14(2)12-6/h3-5,15H,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-1,3-dimethylindazole-5-carboximidamide?
N'-hydroxy-1,3-dimethylindazole-5-carboximidamide has a molecular weight of 204.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,3-dimethylindazole-5-carboximidamide is sourced from PubChem (CID 134478014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).