1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride

C7H12ClN3O — CID 130653632

IUPAC1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
SMILESCc1ccc(C(=O)NN)n1C.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-5-3-4-6(10(5)2)7(11)9-8;/h3-4H,8H2,1-2H3,(H,9,11);1H
InChIKeyVMSIDUSSYYCCIE-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.36
Rot. Bonds1

About 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride

1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride (PubChem CID 130653632) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
PubChem CID130653632
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
SMILESCc1ccc(C(=O)NN)n1C.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-5-3-4-6(10(5)2)7(11)9-8;/h3-4H,8H2,1-2H3,(H,9,11);1H
InChIKeyVMSIDUSSYYCCIE-UHFFFAOYSA-N
XLogP0.36
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride?
The IUPAC name of 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride (CID 130653632) is 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride.
What is the SMILES notation for 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride?
The canonical SMILES for 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride is Cc1ccc(C(=O)NN)n1C.Cl.
What is the InChIKey of 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride?
The InChIKey is VMSIDUSSYYCCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c1-5-3-4-6(10(5)2)7(11)9-8;/h3-4H,8H2,1-2H3,(H,9,11);1H.
What are the key properties of 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride?
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride is sourced from PubChem (CID 130653632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).