3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine

C8H13ClN2 — CID 146400022

IUPAC3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine
SMILESCCCC1=CC(Cl)=NNC1C
InChIInChI=1S/C8H13ClN2/c1-3-4-7-5-8(9)11-10-6(7)2/h5-6,10H,3-4H2,1-2H3
InChIKeyLTQSPUSBDQFANX-UHFFFAOYSA-N
MW172.66 g/mol
LogP2.26
Rot. Bonds2

About 3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine

3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine (PubChem CID 146400022) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine.

Molecular Properties

Compound Name3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine
PubChem CID146400022
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine
SMILESCCCC1=CC(Cl)=NNC1C
InChIInChI=1S/C8H13ClN2/c1-3-4-7-5-8(9)11-10-6(7)2/h5-6,10H,3-4H2,1-2H3
InChIKeyLTQSPUSBDQFANX-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine?
The IUPAC name of 3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine (CID 146400022) is 3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine.
What is the SMILES notation for 3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine?
The canonical SMILES for 3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine is CCCC1=CC(Cl)=NNC1C.
What is the InChIKey of 3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine?
The InChIKey is LTQSPUSBDQFANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2/c1-3-4-7-5-8(9)11-10-6(7)2/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine?
3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine has a molecular weight of 172.66 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-5-propyl-1,6-dihydropyridazine is sourced from PubChem (CID 146400022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).