1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine

C13H16ClN5 — CID 143777487

IUPAC1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine
SMILESCC1CN(c2nnc(Cl)c3ccncc23)CCN1C
InChIInChI=1S/C13H16ClN5/c1-9-8-19(6-5-18(9)2)13-11-7-15-4-3-10(11)12(14)16-17-13/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyLOKPYDJUERULDX-UHFFFAOYSA-N
MW277.76 g/mol
LogP1.82
Rot. Bonds1

About 1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine

1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine (PubChem CID 143777487) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine
PubChem CID143777487
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine
SMILESCC1CN(c2nnc(Cl)c3ccncc23)CCN1C
InChIInChI=1S/C13H16ClN5/c1-9-8-19(6-5-18(9)2)13-11-7-15-4-3-10(11)12(14)16-17-13/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyLOKPYDJUERULDX-UHFFFAOYSA-N
XLogP1.82
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrido[3,4-d]pyridazine
CID 87559587
4-(1-chloropyrido[3,4-d]pyridazin-4-yl)-3-methylpiperazine-1-carboxylic acid
CID 87561009
3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine
CID 81036781
4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine
CID 71195511
[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81236983
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
1-chloro-4-(3-methylpiperazin-1-yl)phthalazine
CID 76610680
[(2S)-2-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]-phenylmethanone
CID 25195455
1-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phthalazine
CID 79165650
4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine
CID 177274249
4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole
CID 83155623
N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81247301

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
The IUPAC name of 1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine (CID 143777487) is 1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine.
What is the SMILES notation for 1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
The canonical SMILES for 1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine is CC1CN(c2nnc(Cl)c3ccncc23)CCN1C.
What is the InChIKey of 1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
The InChIKey is LOKPYDJUERULDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-9-8-19(6-5-18(9)2)13-11-7-15-4-3-10(11)12(14)16-17-13/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine has a molecular weight of 277.76 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine is sourced from PubChem (CID 143777487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).