4-chloro-3-cyclohexylpyridazine

C10H13ClN2 — CID 90978527

IUPAC4-chloro-3-cyclohexylpyridazine
SMILESClc1ccnnc1C1CCCCC1
InChIInChI=1S/C10H13ClN2/c11-9-6-7-12-13-10(9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyRLSVXGAZGMTYHC-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.18
Rot. Bonds1

About 4-chloro-3-cyclohexylpyridazine

4-chloro-3-cyclohexylpyridazine (PubChem CID 90978527) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-chloro-3-cyclohexylpyridazine.

Molecular Properties

Compound Name4-chloro-3-cyclohexylpyridazine
PubChem CID90978527
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name4-chloro-3-cyclohexylpyridazine
SMILESClc1ccnnc1C1CCCCC1
InChIInChI=1S/C10H13ClN2/c11-9-6-7-12-13-10(9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyRLSVXGAZGMTYHC-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyclohexylpyridazine?
The IUPAC name of 4-chloro-3-cyclohexylpyridazine (CID 90978527) is 4-chloro-3-cyclohexylpyridazine.
What is the SMILES notation for 4-chloro-3-cyclohexylpyridazine?
The canonical SMILES for 4-chloro-3-cyclohexylpyridazine is Clc1ccnnc1C1CCCCC1.
What is the InChIKey of 4-chloro-3-cyclohexylpyridazine?
The InChIKey is RLSVXGAZGMTYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-9-6-7-12-13-10(9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 4-chloro-3-cyclohexylpyridazine?
4-chloro-3-cyclohexylpyridazine has a molecular weight of 196.68 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyclohexylpyridazine is sourced from PubChem (CID 90978527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).