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

C7H8ClN3 — CID 12582764

IUPAC3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
SMILESClc1cc2c(nn1)CCNC2
InChIInChI=1S/C7H8ClN3/c8-7-3-5-4-9-2-1-6(5)10-11-7/h3,9H,1-2,4H2
InChIKeyALJUPDQYZZRFSN-UHFFFAOYSA-N
MW169.62 g/mol
LogP0.78
Rot. Bonds

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

3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine (PubChem CID 12582764) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine.

Molecular Properties

Compound Name3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
PubChem CID12582764
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
SMILESClc1cc2c(nn1)CCNC2
InChIInChI=1S/C7H8ClN3/c8-7-3-5-4-9-2-1-6(5)10-11-7/h3,9H,1-2,4H2
InChIKeyALJUPDQYZZRFSN-UHFFFAOYSA-N
XLogP0.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The IUPAC name of 3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine (CID 12582764) is 3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine.
What is the SMILES notation for 3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The canonical SMILES for 3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine is Clc1cc2c(nn1)CCNC2.
What is the InChIKey of 3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The InChIKey is ALJUPDQYZZRFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c8-7-3-5-4-9-2-1-6(5)10-11-7/h3,9H,1-2,4H2.
What are the key properties of 3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine has a molecular weight of 169.62 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine is sourced from PubChem (CID 12582764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).