3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine

C11H13ClN4 — CID 104513977

IUPAC3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine
SMILESCCCc1nccn1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H13ClN4/c1-2-3-11-13-6-7-16(11)8-9-4-5-10(12)15-14-9/h4-7H,2-3,8H2,1H3
InChIKeyABILMXSHVWMTLA-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.33
Rot. Bonds4

About 3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine

3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine (PubChem CID 104513977) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine
PubChem CID104513977
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine
SMILESCCCc1nccn1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H13ClN4/c1-2-3-11-13-6-7-16(11)8-9-4-5-10(12)15-14-9/h4-7H,2-3,8H2,1H3
InChIKeyABILMXSHVWMTLA-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole
CID 118870063
[2-[(2-propylimidazol-1-yl)methyl]-4-pyridinyl]hydrazine
CID 79259010
N-[[6-[(2-propylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907451
1-benzyl-2-octylimidazole
CID 70491727
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole
CID 106269522
2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 114198391
3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine
CID 115769653
4-fluoro-2-[(2-propylimidazol-1-yl)methyl]benzenecarbothioamide
CID 64765991
[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
CID 110005702
4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
CID 80945789
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine (CID 104513977) is 3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine is CCCc1nccn1Cc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine?
The InChIKey is ABILMXSHVWMTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-3-11-13-6-7-16(11)8-9-4-5-10(12)15-14-9/h4-7H,2-3,8H2,1H3.
What are the key properties of 3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine?
3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine has a molecular weight of 236.71 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine is sourced from PubChem (CID 104513977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).