2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone

C11H10ClN7O — CID 170775419

IUPAC2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESNNc1nc(Cl)nc2c1ncn2CC(=O)c1ccc[nH]1
InChIInChI=1S/C11H10ClN7O/c12-11-16-9(18-13)8-10(17-11)19(5-15-8)4-7(20)6-2-1-3-14-6/h1-3,5,14H,4,13H2,(H,16,17,18)
InChIKeyXMMICQANCQLXJX-UHFFFAOYSA-N
MW291.70 g/mol
LogP0.98
Rot. Bonds4

About 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone

2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 170775419) has the molecular formula C11H10ClN7O and a molecular weight of 291.70 g/mol. Its IUPAC name is 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID170775419
Molecular FormulaC11H10ClN7O
Molecular Weight291.70 g/mol
Exact Mass291.06
IUPAC Name2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESNNc1nc(Cl)nc2c1ncn2CC(=O)c1ccc[nH]1
InChIInChI=1S/C11H10ClN7O/c12-11-16-9(18-13)8-10(17-11)19(5-15-8)4-7(20)6-2-1-3-14-6/h1-3,5,14H,4,13H2,(H,16,17,18)
InChIKeyXMMICQANCQLXJX-UHFFFAOYSA-N
XLogP0.98
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-(2,6-dichloropurin-9-yl)ethanone
CID 170775423
dimethyl 2-[2-[2-chloro-6-(methylamino)purin-9-yl]ethyl]propanedioate
CID 10641015
3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]benzoic acid
CID 171621037
ethyl 1-[2-chloro-9-(2-oxo-2-pyridin-2-ylethyl)purin-6-yl]pyrazole-3-carboxylate
CID 170724579
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
2-chloro-9-[(2-chlorophenyl)methyl]-N-methylpurin-6-amine
CID 54051665
9-(aminomethyl)-2-chloropurin-6-amine
CID 156571755
2-[(2-amino-6-hydrazinylpurin-9-yl)methyl]propane-1,3-diol
CID 15516210
9-butyl-2-chloro-N-methylpurin-6-amine
CID 142222305
4-[[2-chloro-6-[(4-methoxyphenyl)methylamino]purin-9-yl]methyl]benzamide
CID 121390711
2-[3-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]acetic acid
CID 23158671
[9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine
CID 91287110

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone (CID 170775419) is 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone is NNc1nc(Cl)nc2c1ncn2CC(=O)c1ccc[nH]1.
What is the InChIKey of 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is XMMICQANCQLXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7O/c12-11-16-9(18-13)8-10(17-11)19(5-15-8)4-7(20)6-2-1-3-14-6/h1-3,5,14H,4,13H2,(H,16,17,18).
What are the key properties of 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone?
2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 291.70 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-hydrazinylpurin-9-yl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 170775419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).