3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine

C8H10ClN3 — CID 23464684

IUPAC3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
SMILESCc1c(Cl)nnc2c1CNCC2
InChIInChI=1S/C8H10ClN3/c1-5-6-4-10-3-2-7(6)11-12-8(5)9/h10H,2-4H2,1H3
InChIKeyNKIPDCTUWGGBMV-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.08
Rot. Bonds

About 3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine

3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine (PubChem CID 23464684) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine.

Molecular Properties

Compound Name3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
PubChem CID23464684
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
SMILESCc1c(Cl)nnc2c1CNCC2
InChIInChI=1S/C8H10ClN3/c1-5-6-4-10-3-2-7(6)11-12-8(5)9/h10H,2-4H2,1H3
InChIKeyNKIPDCTUWGGBMV-UHFFFAOYSA-N
XLogP1.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The IUPAC name of 3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine (CID 23464684) is 3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine.
What is the SMILES notation for 3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The canonical SMILES for 3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine is Cc1c(Cl)nnc2c1CNCC2.
What is the InChIKey of 3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The InChIKey is NKIPDCTUWGGBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-5-6-4-10-3-2-7(6)11-12-8(5)9/h10H,2-4H2,1H3.
What are the key properties of 3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine has a molecular weight of 183.64 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine is sourced from PubChem (CID 23464684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).