6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one

C11H15F3N6O — CID 59853805

IUPAC6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one
SMILESCCCCCn1c(=O)nc(NN)c2[nH]c(C(F)(F)F)nc21
InChIInChI=1S/C11H15F3N6O/c1-2-3-4-5-20-8-6(7(19-15)17-10(20)21)16-9(18-8)11(12,13)14/h2-5,15H2,1H3,(H,16,18)(H,17,19,21)
InChIKeyCKHPBLUXKGMHGT-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.61
Rot. Bonds5

About 6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one

6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one (PubChem CID 59853805) has the molecular formula C11H15F3N6O and a molecular weight of 304.28 g/mol. Its IUPAC name is 6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one.

Molecular Properties

Compound Name6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one
PubChem CID59853805
Molecular FormulaC11H15F3N6O
Molecular Weight304.28 g/mol
Exact Mass304.13
IUPAC Name6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one
SMILESCCCCCn1c(=O)nc(NN)c2[nH]c(C(F)(F)F)nc21
InChIInChI=1S/C11H15F3N6O/c1-2-3-4-5-20-8-6(7(19-15)17-10(20)21)16-9(18-8)11(12,13)14/h2-5,15H2,1H3,(H,16,18)(H,17,19,21)
InChIKeyCKHPBLUXKGMHGT-UHFFFAOYSA-N
XLogP1.61
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(8-tert-butyl-1-nonyl-2,6-dioxo-7H-purin-3-yl)propanamide
CID 70242188
N'-(8-bromo-2-oxo-3-pentyl-7H-purin-6-yl)methanimidamide
CID 143600172
3-hexyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429811
1,3-dibutyl-8-iodo-7H-purine-2,6-dione
CID 11406633
2,2,2-trifluoro-N-[3-(8-methyl-2,6-dioxo-3-pentyl-7H-purin-1-yl)propyl]acetamide
CID 89048476
8-tert-butyl-6-methylsulfanyl-3-propyl-7H-purin-2-one
CID 22239952
3-butyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429719
8-amino-3-butyl-1-methyl-7H-purine-2,6-dione
CID 82464669
5-(8-chloro-2,6-dioxo-3-pentyl-7H-purin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 59405108
2-bromo-8-methyl-4-pentyl-1H-[1,2,4]triazolo[5,1-f]purin-5-one
CID 135955139
2-(8-chloro-2,6-dioxo-3-pentyl-7H-purin-1-yl)ethylcarbamic acid
CID 68516999
3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione
CID 82464779

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one?
The IUPAC name of 6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one (CID 59853805) is 6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one.
What is the SMILES notation for 6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one?
The canonical SMILES for 6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one is CCCCCn1c(=O)nc(NN)c2[nH]c(C(F)(F)F)nc21.
What is the InChIKey of 6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one?
The InChIKey is CKHPBLUXKGMHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N6O/c1-2-3-4-5-20-8-6(7(19-15)17-10(20)21)16-9(18-8)11(12,13)14/h2-5,15H2,1H3,(H,16,18)(H,17,19,21).
What are the key properties of 6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one?
6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one has a molecular weight of 304.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-3-pentyl-8-(trifluoromethyl)-7H-purin-2-one is sourced from PubChem (CID 59853805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).