1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine

C12H14ClF3N6 — CID 18473364

IUPAC1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine
SMILESNN(CC(F)(F)F)c1nc(Cl)nc2c1ncn2C1CCCC1
InChIInChI=1S/C12H14ClF3N6/c13-11-19-9-8(10(20-11)22(17)5-12(14,15)16)18-6-21(9)7-3-1-2-4-7/h6-7H,1-5,17H2
InChIKeyLZGMRCDNYXYJAY-UHFFFAOYSA-N
MW334.73 g/mol
LogP2.84
Rot. Bonds3

About 1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine

1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine (PubChem CID 18473364) has the molecular formula C12H14ClF3N6 and a molecular weight of 334.73 g/mol. Its IUPAC name is 1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine.

Molecular Properties

Compound Name1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine
PubChem CID18473364
Molecular FormulaC12H14ClF3N6
Molecular Weight334.73 g/mol
Exact Mass334.09
IUPAC Name1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine
SMILESNN(CC(F)(F)F)c1nc(Cl)nc2c1ncn2C1CCCC1
InChIInChI=1S/C12H14ClF3N6/c13-11-19-9-8(10(20-11)22(17)5-12(14,15)16)18-6-21(9)7-3-1-2-4-7/h6-7H,1-5,17H2
InChIKeyLZGMRCDNYXYJAY-UHFFFAOYSA-N
XLogP2.84
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine?
The IUPAC name of 1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine (CID 18473364) is 1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine.
What is the SMILES notation for 1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine?
The canonical SMILES for 1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine is NN(CC(F)(F)F)c1nc(Cl)nc2c1ncn2C1CCCC1.
What is the InChIKey of 1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine?
The InChIKey is LZGMRCDNYXYJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N6/c13-11-19-9-8(10(20-11)22(17)5-12(14,15)16)18-6-21(9)7-3-1-2-4-7/h6-7H,1-5,17H2.
What are the key properties of 1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine?
1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine has a molecular weight of 334.73 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2,2,2-trifluoroethyl)hydrazine is sourced from PubChem (CID 18473364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).