6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide

C12H12N8O — CID 106909508

IUPAC6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(Cn2cnc3c(N)ncnc32)n1
InChIInChI=1S/C12H12N8O/c13-10-9-11(16-5-15-10)20(6-17-9)4-7-2-1-3-8(18-7)12(21)19-14/h1-3,5-6H,4,14H2,(H,19,21)(H2,13,15,16)
InChIKeyWVVGLRMPOMQGDA-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.54
Rot. Bonds3

About 6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide

6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide (PubChem CID 106909508) has the molecular formula C12H12N8O and a molecular weight of 284.28 g/mol. Its IUPAC name is 6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
PubChem CID106909508
Molecular FormulaC12H12N8O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(Cn2cnc3c(N)ncnc32)n1
InChIInChI=1S/C12H12N8O/c13-10-9-11(16-5-15-10)20(6-17-9)4-7-2-1-3-8(18-7)12(21)19-14/h1-3,5-6H,4,14H2,(H,19,21)(H2,13,15,16)
InChIKeyWVVGLRMPOMQGDA-UHFFFAOYSA-N
XLogP-0.54
TPSA137.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide
CID 63580583
9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine
CID 104513941
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid
CID 63377975
2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 102148000
6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909481
9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine
CID 115334201
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
9-[(8-methyl-2-phenylquinolin-3-yl)methyl]purin-6-amine
CID 67200292
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295

Frequently Asked Questions

What is the IUPAC name of 6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide (CID 106909508) is 6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(Cn2cnc3c(N)ncnc32)n1.
What is the InChIKey of 6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide?
The InChIKey is WVVGLRMPOMQGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8O/c13-10-9-11(16-5-15-10)20(6-17-9)4-7-2-1-3-8(18-7)12(21)19-14/h1-3,5-6H,4,14H2,(H,19,21)(H2,13,15,16).
What are the key properties of 6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide?
6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide has a molecular weight of 284.28 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).