6-methylquinazoline-2-carbohydrazide;dihydrochloride

C10H12Cl2N4O — CID 89487244

IUPAC6-methylquinazoline-2-carbohydrazide;dihydrochloride
SMILESCc1ccc2nc(C(=O)NN)ncc2c1.Cl.Cl
InChIInChI=1S/C10H10N4O.2ClH/c1-6-2-3-8-7(4-6)5-12-9(13-8)10(15)14-11;;/h2-5H,11H2,1H3,(H,14,15);2*1H
InChIKeySPMIIHAOHVUVFH-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.39
Rot. Bonds1

About 6-methylquinazoline-2-carbohydrazide;dihydrochloride

6-methylquinazoline-2-carbohydrazide;dihydrochloride (PubChem CID 89487244) has the molecular formula C10H12Cl2N4O and a molecular weight of 275.14 g/mol. Its IUPAC name is 6-methylquinazoline-2-carbohydrazide;dihydrochloride.

Molecular Properties

Compound Name6-methylquinazoline-2-carbohydrazide;dihydrochloride
PubChem CID89487244
Molecular FormulaC10H12Cl2N4O
Molecular Weight275.14 g/mol
Exact Mass274.04
IUPAC Name6-methylquinazoline-2-carbohydrazide;dihydrochloride
SMILESCc1ccc2nc(C(=O)NN)ncc2c1.Cl.Cl
InChIInChI=1S/C10H10N4O.2ClH/c1-6-2-3-8-7(4-6)5-12-9(13-8)10(15)14-11;;/h2-5H,11H2,1H3,(H,14,15);2*1H
InChIKeySPMIIHAOHVUVFH-UHFFFAOYSA-N
XLogP1.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.39
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 6-methylquinazoline-2-carbohydrazide;dihydrochloride?
The IUPAC name of 6-methylquinazoline-2-carbohydrazide;dihydrochloride (CID 89487244) is 6-methylquinazoline-2-carbohydrazide;dihydrochloride.
What is the SMILES notation for 6-methylquinazoline-2-carbohydrazide;dihydrochloride?
The canonical SMILES for 6-methylquinazoline-2-carbohydrazide;dihydrochloride is Cc1ccc2nc(C(=O)NN)ncc2c1.Cl.Cl.
What is the InChIKey of 6-methylquinazoline-2-carbohydrazide;dihydrochloride?
The InChIKey is SPMIIHAOHVUVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O.2ClH/c1-6-2-3-8-7(4-6)5-12-9(13-8)10(15)14-11;;/h2-5H,11H2,1H3,(H,14,15);2*1H.
What are the key properties of 6-methylquinazoline-2-carbohydrazide;dihydrochloride?
6-methylquinazoline-2-carbohydrazide;dihydrochloride has a molecular weight of 275.14 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylquinazoline-2-carbohydrazide;dihydrochloride is sourced from PubChem (CID 89487244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).