4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine

C17H23N7O — CID 174933435

IUPAC4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine
SMILESCNNCc1ccc(C(=O)NC(C)C)cc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C12H19N3O.C5H4N4/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;1-4-5(8-2-6-1)9-3-7-4/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1-3H,(H,6,7,8,9)
InChIKeyNACFUDYQKUYNGB-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.40
Rot. Bonds5

About 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine

4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine (PubChem CID 174933435) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine.

Molecular Properties

Compound Name4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine
PubChem CID174933435
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine
SMILESCNNCc1ccc(C(=O)NC(C)C)cc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C12H19N3O.C5H4N4/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;1-4-5(8-2-6-1)9-3-7-4/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1-3H,(H,6,7,8,9)
InChIKeyNACFUDYQKUYNGB-UHFFFAOYSA-N
XLogP1.40
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;triazene
CID 174939500
ethanol;7H-purine
CID 134205486
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
CID 87601837
N-butan-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110848509
phenylmethoxymethylbenzene;7H-purine
CID 71212113
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-chloropyrimidine-4-carboxamide
CID 97221494
4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
CID 175213138
4-(2-aminopropyl)-N-propan-2-ylbenzamide
CID 170891728
2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride
CID 174898105

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine?
The IUPAC name of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine (CID 174933435) is 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine.
What is the SMILES notation for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine?
The canonical SMILES for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine is CNNCc1ccc(C(=O)NC(C)C)cc1.c1ncc2[nH]cnc2n1.
What is the InChIKey of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine?
The InChIKey is NACFUDYQKUYNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.C5H4N4/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;1-4-5(8-2-6-1)9-3-7-4/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1-3H,(H,6,7,8,9).
What are the key properties of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine?
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine has a molecular weight of 341.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;7H-purine is sourced from PubChem (CID 174933435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).