3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine

C11H14ClN5 — CID 114690815

IUPAC3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine
SMILESCCCn1nncc1-c1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H14ClN5/c1-4-5-17-9(6-13-16-17)10-7(2)8(3)11(12)15-14-10/h6H,4-5H2,1-3H3
InChIKeyRMAPVSCFKAGHPV-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.42
Rot. Bonds3

About 3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine

3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine (PubChem CID 114690815) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine
PubChem CID114690815
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine
SMILESCCCn1nncc1-c1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H14ClN5/c1-4-5-17-9(6-13-16-17)10-7(2)8(3)11(12)15-14-10/h6H,4-5H2,1-3H3
InChIKeyRMAPVSCFKAGHPV-UHFFFAOYSA-N
XLogP2.42
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine?
The IUPAC name of 3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine (CID 114690815) is 3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine?
The canonical SMILES for 3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine is CCCn1nncc1-c1nnc(Cl)c(C)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine?
The InChIKey is RMAPVSCFKAGHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-4-5-17-9(6-13-16-17)10-7(2)8(3)11(12)15-14-10/h6H,4-5H2,1-3H3.
What are the key properties of 3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine?
3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine has a molecular weight of 251.72 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine is sourced from PubChem (CID 114690815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).