2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine

C12H16N4 — CID 75524020

IUPAC2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine
SMILESCCc1nc(CC)n(Cc2ccccn2)n1
InChIInChI=1S/C12H16N4/c1-3-11-14-12(4-2)16(15-11)9-10-7-5-6-8-13-10/h5-8H,3-4,9H2,1-2H3
InChIKeyBATDYWCTOQPXRF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.85
Rot. Bonds4

About 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine

2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine (PubChem CID 75524020) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine
PubChem CID75524020
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine
SMILESCCc1nc(CC)n(Cc2ccccn2)n1
InChIInChI=1S/C12H16N4/c1-3-11-14-12(4-2)16(15-11)9-10-7-5-6-8-13-10/h5-8H,3-4,9H2,1-2H3
InChIKeyBATDYWCTOQPXRF-UHFFFAOYSA-N
XLogP1.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine?
The IUPAC name of 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine (CID 75524020) is 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine is CCc1nc(CC)n(Cc2ccccn2)n1.
What is the InChIKey of 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine?
The InChIKey is BATDYWCTOQPXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-11-14-12(4-2)16(15-11)9-10-7-5-6-8-13-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine?
2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine has a molecular weight of 216.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]pyridine is sourced from PubChem (CID 75524020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).