5-chloro-1H-1,3-diazonine

C7H7ClN2 — CID 143711914

IUPAC5-chloro-1H-1,3-diazonine
SMILESClc1cccc[nH]cnc1
InChIInChI=1S/C7H7ClN2/c8-7-3-1-2-4-9-6-10-5-7/h1-6H,(H,9,10)/b3-1-,4-2-,7-5+
InChIKeyOSYUVHOFNVYZRH-WMEORZAOSA-N
MW154.60 g/mol
LogP2.19
Rot. Bonds

About 5-chloro-1H-1,3-diazonine

5-chloro-1H-1,3-diazonine (PubChem CID 143711914) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 5-chloro-1H-1,3-diazonine.

Molecular Properties

Compound Name5-chloro-1H-1,3-diazonine
PubChem CID143711914
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name5-chloro-1H-1,3-diazonine
SMILESClc1cccc[nH]cnc1
InChIInChI=1S/C7H7ClN2/c8-7-3-1-2-4-9-6-10-5-7/h1-6H,(H,9,10)/b3-1-,4-2-,7-5+
InChIKeyOSYUVHOFNVYZRH-WMEORZAOSA-N
XLogP2.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-1,3-diazonine?
The IUPAC name of 5-chloro-1H-1,3-diazonine (CID 143711914) is 5-chloro-1H-1,3-diazonine.
What is the SMILES notation for 5-chloro-1H-1,3-diazonine?
The canonical SMILES for 5-chloro-1H-1,3-diazonine is Clc1cccc[nH]cnc1.
What is the InChIKey of 5-chloro-1H-1,3-diazonine?
The InChIKey is OSYUVHOFNVYZRH-WMEORZAOSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-7-3-1-2-4-9-6-10-5-7/h1-6H,(H,9,10)/b3-1-,4-2-,7-5+.
What are the key properties of 5-chloro-1H-1,3-diazonine?
5-chloro-1H-1,3-diazonine has a molecular weight of 154.60 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-1,3-diazonine is sourced from PubChem (CID 143711914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).