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

C12H14ClN5 — CID 76585157

IUPAC1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
SMILESCC1CN(c2nnc(Cl)c3ccncc23)CCN1
InChIInChI=1S/C12H14ClN5/c1-8-7-18(5-4-15-8)12-10-6-14-3-2-9(10)11(13)16-17-12/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyGNTOEYWNKCXWPC-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.48
Rot. Bonds1

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

1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine (PubChem CID 76585157) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
PubChem CID76585157
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine
SMILESCC1CN(c2nnc(Cl)c3ccncc23)CCN1
InChIInChI=1S/C12H14ClN5/c1-8-7-18(5-4-15-8)12-10-6-14-3-2-9(10)11(13)16-17-12/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyGNTOEYWNKCXWPC-UHFFFAOYSA-N
XLogP1.48
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
The IUPAC name of 1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine (CID 76585157) is 1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine.
What is the SMILES notation for 1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
The canonical SMILES for 1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine is CC1CN(c2nnc(Cl)c3ccncc23)CCN1.
What is the InChIKey of 1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
The InChIKey is GNTOEYWNKCXWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-8-7-18(5-4-15-8)12-10-6-14-3-2-9(10)11(13)16-17-12/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of 1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine?
1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine has a molecular weight of 263.73 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazine is sourced from PubChem (CID 76585157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).