[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine

C11H18ClN5 — CID 80932155

IUPAC[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(N2CCCCCCC2)n1
InChIInChI=1S/C11H18ClN5/c12-9-8-14-11(16-13)15-10(9)17-6-4-2-1-3-5-7-17/h8H,1-7,13H2,(H,14,15,16)
InChIKeyGYGXYZMXDGYZLD-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.19
Rot. Bonds2

About [4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine

[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine (PubChem CID 80932155) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is [4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine
PubChem CID80932155
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(N2CCCCCCC2)n1
InChIInChI=1S/C11H18ClN5/c12-9-8-14-11(16-13)15-10(9)17-6-4-2-1-3-5-7-17/h8H,1-7,13H2,(H,14,15,16)
InChIKeyGYGXYZMXDGYZLD-UHFFFAOYSA-N
XLogP2.19
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-(azetidin-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 130548753
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674652
2-[4-(5-chloro-2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 80906441
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
[5-chloro-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 114542250
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 80914551
N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine
CID 171627312
[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80918943
1-[1-(5-chloro-2-hydrazinylpyrimidin-4-yl)azepan-2-yl]propan-2-ol
CID 112748846
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80904855
5-chloro-N-ethyl-4-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80766486

Frequently Asked Questions

What is the IUPAC name of [4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine (CID 80932155) is [4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine is NNc1ncc(Cl)c(N2CCCCCCC2)n1.
What is the InChIKey of [4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine?
The InChIKey is GYGXYZMXDGYZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c12-9-8-14-11(16-13)15-10(9)17-6-4-2-1-3-5-7-17/h8H,1-7,13H2,(H,14,15,16).
What are the key properties of [4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine?
[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine has a molecular weight of 255.75 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80932155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).