4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene

C12H22N6O — CID 174939500

IUPAC4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene
SMILESCNNCc1ccc(C(=O)NC(C)C)cc1.[H]/N=N/N
InChIInChI=1S/C12H19N3O.H3N3/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;1-3-2/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);(H3,1,2)
InChIKeyLKJOIWVBENNNPD-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.94
Rot. Bonds5

About 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene

4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene (PubChem CID 174939500) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene.

Molecular Properties

Compound Name4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene
PubChem CID174939500
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene
SMILESCNNCc1ccc(C(=O)NC(C)C)cc1.[H]/N=N/N
InChIInChI=1S/C12H19N3O.H3N3/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;1-3-2/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);(H3,1,2)
InChIKeyLKJOIWVBENNNPD-UHFFFAOYSA-N
XLogP0.94
TPSA115.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
CID 9703
sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
CID 175548560
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine
CID 174933435
4-(2-aminopropyl)-N-propan-2-ylbenzamide
CID 170891728
1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
CID 87601837
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
N-methyl-4-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]benzamide
CID 111125420
4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
CID 175213138
4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide
CID 115039039
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene?
The IUPAC name of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene (CID 174939500) is 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene.
What is the SMILES notation for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene?
The canonical SMILES for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene is CNNCc1ccc(C(=O)NC(C)C)cc1.[H]/N=N/N.
What is the InChIKey of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene?
The InChIKey is LKJOIWVBENNNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.H3N3/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;1-3-2/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);(H3,1,2).
What are the key properties of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene?
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene has a molecular weight of 266.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene is sourced from PubChem (CID 174939500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).