4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine

C11H13ClN4 — CID 63385765

IUPAC4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine
SMILESCCc1nnc(Cl)n1C(C)c1ccncc1
InChIInChI=1S/C11H13ClN4/c1-3-10-14-15-11(12)16(10)8(2)9-4-6-13-7-5-9/h4-8H,3H2,1-2H3
InChIKeyIIULEQDVEUBVRN-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.50
Rot. Bonds3

About 4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine

4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine (PubChem CID 63385765) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine
PubChem CID63385765
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine
SMILESCCc1nnc(Cl)n1C(C)c1ccncc1
InChIInChI=1S/C11H13ClN4/c1-3-10-14-15-11(12)16(10)8(2)9-4-6-13-7-5-9/h4-8H,3H2,1-2H3
InChIKeyIIULEQDVEUBVRN-UHFFFAOYSA-N
XLogP2.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine?
The IUPAC name of 4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine (CID 63385765) is 4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine.
What is the SMILES notation for 4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine?
The canonical SMILES for 4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine is CCc1nnc(Cl)n1C(C)c1ccncc1.
What is the InChIKey of 4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine?
The InChIKey is IIULEQDVEUBVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-3-10-14-15-11(12)16(10)8(2)9-4-6-13-7-5-9/h4-8H,3H2,1-2H3.
What are the key properties of 4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine?
4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine has a molecular weight of 236.71 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-5-ethyl-1,2,4-triazol-4-yl)ethyl]pyridine is sourced from PubChem (CID 63385765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).