2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one

C14H16N4O — CID 135466692

IUPAC2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCC1(C)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21
InChIInChI=1S/C14H16N4O/c1-14(2)7-8-5-3-4-6-9(8)11-10(14)12(19)17-13(16-11)18-15/h3-6H,7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyJAPPJOAYYDAARD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.56
Rot. Bonds1

About 2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one

2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135466692) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135466692
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCC1(C)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21
InChIInChI=1S/C14H16N4O/c1-14(2)7-8-5-3-4-6-9(8)11-10(14)12(19)17-13(16-11)18-15/h3-6H,7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyJAPPJOAYYDAARD-UHFFFAOYSA-N
XLogP1.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-hydrazinyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135415731
3-Amino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838221
9-(methylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(11H)-one
CID 1388730
3-amino-9-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838238
5,5-Diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135496455
9-(ethylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
CID 1384413
9-(ethylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
CID 1399699
N-allyl-2-(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)hydrazinecarbothioamide
CID 135399028
N-allyl-2-(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)hydrazinecarbothioamide
CID 135444524
2-amino-5-cyclopropyl-6-[(2-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155518928
5-Ethyl-5-methyl-2-methylsulfanyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135527645
5-ethyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135530212

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135466692) is 2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one is CC1(C)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21.
What is the InChIKey of 2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is JAPPJOAYYDAARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-14(2)7-8-5-3-4-6-9(8)11-10(14)12(19)17-13(16-11)18-15/h3-6H,7,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 256.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135466692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).