3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride

C10H13ClN4O2 — CID 112756295

IUPAC3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride
SMILESCOc1ccc2c(N)c(C(=O)NN)[nH]c2c1.Cl
InChIInChI=1S/C10H12N4O2.ClH/c1-16-5-2-3-6-7(4-5)13-9(8(6)11)10(15)14-12;/h2-4,13H,11-12H2,1H3,(H,14,15);1H
InChIKeyVTFMJGZVEMXANH-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.78
Rot. Bonds2

About 3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride

3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride (PubChem CID 112756295) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride
PubChem CID112756295
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride
SMILESCOc1ccc2c(N)c(C(=O)NN)[nH]c2c1.Cl
InChIInChI=1S/C10H12N4O2.ClH/c1-16-5-2-3-6-7(4-5)13-9(8(6)11)10(15)14-12;/h2-4,13H,11-12H2,1H3,(H,14,15);1H
InChIKeyVTFMJGZVEMXANH-UHFFFAOYSA-N
XLogP0.78
TPSA106.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-methyl-1H-indole-2-carbohydrazide
CID 933858
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
ethyl 2-(6-methoxy-3-methyl-1H-indol-2-yl)-2-oxoacetate
CID 115072762
methyl 3-amino-6-methyl-1H-indole-2-carboxylate
CID 4777916
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205399
N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513803
2-(6-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 70238324
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513808
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847
6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205504
3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 14020208

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride?
The IUPAC name of 3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride (CID 112756295) is 3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride.
What is the SMILES notation for 3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride?
The canonical SMILES for 3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride is COc1ccc2c(N)c(C(=O)NN)[nH]c2c1.Cl.
What is the InChIKey of 3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride?
The InChIKey is VTFMJGZVEMXANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2.ClH/c1-16-5-2-3-6-7(4-5)13-9(8(6)11)10(15)14-12;/h2-4,13H,11-12H2,1H3,(H,14,15);1H.
What are the key properties of 3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride?
3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride has a molecular weight of 256.69 g/mol, XLogP of 0.78, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride is sourced from PubChem (CID 112756295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).