1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine

C13H19ClN6 — CID 71618002

IUPAC1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine
SMILESClc1nc(NNCCC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H19ClN6/c14-13-18-11-10(15-8-16-11)12(19-13)20-17-7-6-9-4-2-1-3-5-9/h8-9,17H,1-7H2,(H2,15,16,18,19,20)
InChIKeyNRTPFNPGGOXRHV-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.89
Rot. Bonds5

About 1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine

1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine (PubChem CID 71618002) has the molecular formula C13H19ClN6 and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine.

Molecular Properties

Compound Name1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine
PubChem CID71618002
Molecular FormulaC13H19ClN6
Molecular Weight294.79 g/mol
Exact Mass294.14
IUPAC Name1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine
SMILESClc1nc(NNCCC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H19ClN6/c14-13-18-11-10(15-8-16-11)12(19-13)20-17-7-6-9-4-2-1-3-5-9/h8-9,17H,1-7H2,(H2,15,16,18,19,20)
InChIKeyNRTPFNPGGOXRHV-UHFFFAOYSA-N
XLogP2.89
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine?
The IUPAC name of 1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine (CID 71618002) is 1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine.
What is the SMILES notation for 1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine?
The canonical SMILES for 1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine is Clc1nc(NNCCC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine?
The InChIKey is NRTPFNPGGOXRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6/c14-13-18-11-10(15-8-16-11)12(19-13)20-17-7-6-9-4-2-1-3-5-9/h8-9,17H,1-7H2,(H2,15,16,18,19,20).
What are the key properties of 1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine?
1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine has a molecular weight of 294.79 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine is sourced from PubChem (CID 71618002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).