3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride

C11H18Cl2N4 — CID 126770503

IUPAC3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride
SMILESCl.Cl.c1c(N2CCCC2)nnc2c1CNCC2
InChIInChI=1S/C11H16N4.2ClH/c1-2-6-15(5-1)11-7-9-8-12-4-3-10(9)13-14-11;;/h7,12H,1-6,8H2;2*1H
InChIKeyKERBEXMSGZNRFK-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.57
Rot. Bonds1

About 3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride

3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride (PubChem CID 126770503) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride
PubChem CID126770503
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride
SMILESCl.Cl.c1c(N2CCCC2)nnc2c1CNCC2
InChIInChI=1S/C11H16N4.2ClH/c1-2-6-15(5-1)11-7-9-8-12-4-3-10(9)13-14-11;;/h7,12H,1-6,8H2;2*1H
InChIKeyKERBEXMSGZNRFK-UHFFFAOYSA-N
XLogP1.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,4S)-2-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462088
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6-phenylpyridazin-3-amine;hydrochloride
CID 45262812
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride
CID 90664279
[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
CID 10089805
3-(6-Piperidino-3-pyridazinyl)aniline
CID 82048492
3-Pyridazinamine, N-(1-((3,4-difluorophenyl)methyl)-4-piperidinyl)-6-(trifluoromethyl)-, hydrochloride (1:2)
CID 91826482
1,3-Propanediamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, dihydrochloride, hydrate
CID 6410650
1,4-Butanediamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, dihydrochloride, hydrate
CID 6410652
1,2-Ethanediamine, N-(6-phenyl-3-pyridazinyl)-, dihydrochloride
CID 6410656
1,2-Ethanediamine, N-methyl-N'-(4-methyl-6-phenyl-3-pyridazinyl)-, hydrochloride, hydrate (2:4:1)
CID 6410669
1,2-Ethanediamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, dihydrochloride, hemihydrate
CID 6410802
1,2-Ethanediamine, N,N-dimethyl-N'-(4-methyl-6-phenyl-3-pyridazinyl)-, dihydrochloride
CID 6410804

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride?
The IUPAC name of 3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride (CID 126770503) is 3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride.
What is the SMILES notation for 3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride?
The canonical SMILES for 3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride is Cl.Cl.c1c(N2CCCC2)nnc2c1CNCC2.
What is the InChIKey of 3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride?
The InChIKey is KERBEXMSGZNRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.2ClH/c1-2-6-15(5-1)11-7-9-8-12-4-3-10(9)13-14-11;;/h7,12H,1-6,8H2;2*1H.
What are the key properties of 3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride?
3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride has a molecular weight of 277.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;dihydrochloride is sourced from PubChem (CID 126770503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).