4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine

C17H23N5 — CID 146038387

IUPAC4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
SMILESCc1cccnc1CN1CCN(c2nncc(C)c2C)CC1
InChIInChI=1S/C17H23N5/c1-13-5-4-6-18-16(13)12-21-7-9-22(10-8-21)17-15(3)14(2)11-19-20-17/h4-6,11H,7-10,12H2,1-3H3
InChIKeyPVLHCEWNABHKPP-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.12
Rot. Bonds3

About 4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine

4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine (PubChem CID 146038387) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
PubChem CID146038387
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
SMILESCc1cccnc1CN1CCN(c2nncc(C)c2C)CC1
InChIInChI=1S/C17H23N5/c1-13-5-4-6-18-16(13)12-21-7-9-22(10-8-21)17-15(3)14(2)11-19-20-17/h4-6,11H,7-10,12H2,1-3H3
InChIKeyPVLHCEWNABHKPP-UHFFFAOYSA-N
XLogP2.12
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
6-(azepan-1-yl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42199344
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine
CID 157019637
4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995161
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 165432585
4,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyridazine
CID 146042599
4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 165433162
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine?
The IUPAC name of 4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine (CID 146038387) is 4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine is Cc1cccnc1CN1CCN(c2nncc(C)c2C)CC1.
What is the InChIKey of 4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine?
The InChIKey is PVLHCEWNABHKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-13-5-4-6-18-16(13)12-21-7-9-22(10-8-21)17-15(3)14(2)11-19-20-17/h4-6,11H,7-10,12H2,1-3H3.
What are the key properties of 4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine?
4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine has a molecular weight of 297.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 146038387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).