3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine

C10H14N4 — CID 117104539

IUPAC3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine
SMILESc1c(N2CCC2)nnc2c1CCNC2
InChIInChI=1S/C10H14N4/c1-4-14(5-1)10-6-8-2-3-11-7-9(8)12-13-10/h6,11H,1-5,7H2
InChIKeyHMFDVWSFTSUWED-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.33
Rot. Bonds1

About 3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine

3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine (PubChem CID 117104539) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine
PubChem CID117104539
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine
SMILESc1c(N2CCC2)nnc2c1CCNC2
InChIInChI=1S/C10H14N4/c1-4-14(5-1)10-6-8-2-3-11-7-9(8)12-13-10/h6,11H,1-5,7H2
InChIKeyHMFDVWSFTSUWED-UHFFFAOYSA-N
XLogP0.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
CID 117104498
3-(1,4-diazepan-1-yl)-5,6,7,8-tetrahydrocinnoline
CID 112708518
3-methoxy-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine
CID 117100420
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137
N-cyclopropyl-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine
CID 117104535
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]imidazolidin-2-one
CID 122281465
N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine
CID 117104569
2-[2-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915147
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122281024
3-[3-(fluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydrocinnoline
CID 175648038
3-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 122281528
3-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 122281648

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine?
The IUPAC name of 3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine (CID 117104539) is 3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine.
What is the SMILES notation for 3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine?
The canonical SMILES for 3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine is c1c(N2CCC2)nnc2c1CCNC2.
What is the InChIKey of 3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine?
The InChIKey is HMFDVWSFTSUWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-4-14(5-1)10-6-8-2-3-11-7-9(8)12-13-10/h6,11H,1-5,7H2.
What are the key properties of 3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine?
3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine has a molecular weight of 190.25 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine is sourced from PubChem (CID 117104539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).