7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione

C10H13ClN6O2 — CID 819226

IUPAC7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione
SMILESCC(Cl)=CCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C10H13ClN6O2/c1-5(11)3-4-17-6-7(13-9(17)15-12)16(2)10(19)14-8(6)18/h3H,4,12H2,1-2H3,(H,13,15)(H,14,18,19)
InChIKeyVUDWQRODOXRFOK-UHFFFAOYSA-N
MW284.71 g/mol
LogP-0.15
Rot. Bonds3

About 7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione

7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione (PubChem CID 819226) has the molecular formula C10H13ClN6O2 and a molecular weight of 284.71 g/mol. Its IUPAC name is 7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione
PubChem CID819226
Molecular FormulaC10H13ClN6O2
Molecular Weight284.71 g/mol
Exact Mass284.08
IUPAC Name7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione
SMILESCC(Cl)=CCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C10H13ClN6O2/c1-5(11)3-4-17-6-7(13-9(17)15-12)16(2)10(19)14-8(6)18/h3H,4,12H2,1-2H3,(H,13,15)(H,14,18,19)
InChIKeyVUDWQRODOXRFOK-UHFFFAOYSA-N
XLogP-0.15
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 5-0.15
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'}

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Related Compounds

8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione
CID 823143
7-[(Z)-3-chlorobut-2-enyl]-8-[[(2S)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione
CID 42476703
7-[(E)-3-chlorobut-2-enyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 6341383
8-(2-benzylidenehydrazinyl)-7-(3-chlorobut-2-enyl)-3-methylpurine-2,6-dione
CID 3104108
7-(3-chlorobut-2-enyl)-8-(diethylamino)-3-methylpurine-2,6-dione
CID 71962088
8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-7-(3-chlorobut-2-enyl)-3-methylpurine-2,6-dione
CID 3104096
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512
7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione
CID 3144865
2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
CID 6920301
7-[(2-chloro-6-fluorophenyl)methyl]-8-hydrazinyl-3-methylpurine-2,6-dione
CID 53275887
7-(3-chlorobut-2-enyl)-3-methyl-8-phenacylsulfanylpurine-2,6-dione
CID 71961828
7-[(Z)-3-chlorobut-2-enyl]-8-[(2-hydroxy-1-prop-2-enylindol-3-yl)diazenyl]-3-methylpurine-2,6-dione
CID 135549460

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione?
The IUPAC name of 7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione (CID 819226) is 7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione.
What is the SMILES notation for 7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione?
The canonical SMILES for 7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione is CC(Cl)=CCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione?
The InChIKey is VUDWQRODOXRFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O2/c1-5(11)3-4-17-6-7(13-9(17)15-12)16(2)10(19)14-8(6)18/h3H,4,12H2,1-2H3,(H,13,15)(H,14,18,19).
What are the key properties of 7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione?
7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione has a molecular weight of 284.71 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione is sourced from PubChem (CID 819226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).