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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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).