N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide

C14H15N7O — CID 91927535

IUPACN'-(6-amino-9-benzylpurin-8-yl)acetohydrazide
SMILESCC(=O)NNc1nc2c(N)ncnc2n1Cc1ccccc1
InChIInChI=1S/C14H15N7O/c1-9(22)19-20-14-18-11-12(15)16-8-17-13(11)21(14)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,18,20)(H,19,22)(H2,15,16,17)
InChIKeyYZHVCKFEFSTVFQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.92
Rot. Bonds4

About N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide

N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide (PubChem CID 91927535) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(6-amino-9-benzylpurin-8-yl)acetohydrazide
PubChem CID91927535
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN'-(6-amino-9-benzylpurin-8-yl)acetohydrazide
SMILESCC(=O)NNc1nc2c(N)ncnc2n1Cc1ccccc1
InChIInChI=1S/C14H15N7O/c1-9(22)19-20-14-18-11-12(15)16-8-17-13(11)21(14)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,18,20)(H,19,22)(H2,15,16,17)
InChIKeyYZHVCKFEFSTVFQ-UHFFFAOYSA-N
XLogP0.92
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Benzylaminopurine
CID 62389
Roscovitine
CID 160355
Olomoucine
CID 4592
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
CID 5097
Bohemine
CID 2422
N6-Benzyl-9H-purine-2,6-diamine
CID 16409607
9-(Phenylmethyl)-9H-purin-6-amine
CID 20262
2-((6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl)amino)ethan-1-ol
CID 6610355
(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}propan-1-ol
CID 6538924
(2S)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}propan-1-ol
CID 6538925
1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-3-methylpent-1-yn-3-ol
CID 6538935

Frequently Asked Questions

What is the IUPAC name of N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide?
The IUPAC name of N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide (CID 91927535) is N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide.
What is the SMILES notation for N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide?
The canonical SMILES for N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide is CC(=O)NNc1nc2c(N)ncnc2n1Cc1ccccc1.
What is the InChIKey of N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide?
The InChIKey is YZHVCKFEFSTVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-9(22)19-20-14-18-11-12(15)16-8-17-13(11)21(14)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,18,20)(H,19,22)(H2,15,16,17).
What are the key properties of N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide?
N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide has a molecular weight of 297.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide is sourced from PubChem (CID 91927535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).