6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one

C10H13N5O — CID 136809214

IUPAC6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
SMILESCN(C)Nc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C10H13N5O/c1-15(2)14-10-12-8-4-3-6(11)5-7(8)9(16)13-10/h3-5H,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyBHEJHXLFDVDYDD-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.39
Rot. Bonds2

About 6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one

6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one (PubChem CID 136809214) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
PubChem CID136809214
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
SMILESCN(C)Nc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C10H13N5O/c1-15(2)14-10-12-8-4-3-6(11)5-7(8)9(16)13-10/h3-5H,11H2,1-2H3,(H2,12,13,14,16)
InChIKeyBHEJHXLFDVDYDD-UHFFFAOYSA-N
XLogP0.39
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one (CID 136809214) is 6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one is CN(C)Nc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one?
The InChIKey is BHEJHXLFDVDYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15(2)14-10-12-8-4-3-6(11)5-7(8)9(16)13-10/h3-5H,11H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one?
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one has a molecular weight of 219.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136809214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).