3-ethyl-4-(1,2,4-triazol-1-yl)pyridine

C9H10N4 — CID 70310862

IUPAC3-ethyl-4-(1,2,4-triazol-1-yl)pyridine
SMILESCCc1cnccc1-n1cncn1
InChIInChI=1S/C9H10N4/c1-2-8-5-10-4-3-9(8)13-7-11-6-12-13/h3-7H,2H2,1H3
InChIKeyFNKHLPPNCRQYPV-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.22
Rot. Bonds2

About 3-ethyl-4-(1,2,4-triazol-1-yl)pyridine

3-ethyl-4-(1,2,4-triazol-1-yl)pyridine (PubChem CID 70310862) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3-ethyl-4-(1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name3-ethyl-4-(1,2,4-triazol-1-yl)pyridine
PubChem CID70310862
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name3-ethyl-4-(1,2,4-triazol-1-yl)pyridine
SMILESCCc1cnccc1-n1cncn1
InChIInChI=1S/C9H10N4/c1-2-8-5-10-4-3-9(8)13-7-11-6-12-13/h3-7H,2H2,1H3
InChIKeyFNKHLPPNCRQYPV-UHFFFAOYSA-N
XLogP1.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 3-ethyl-4-(1,2,4-triazol-1-yl)pyridine (CID 70310862) is 3-ethyl-4-(1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 3-ethyl-4-(1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 3-ethyl-4-(1,2,4-triazol-1-yl)pyridine is CCc1cnccc1-n1cncn1.
What is the InChIKey of 3-ethyl-4-(1,2,4-triazol-1-yl)pyridine?
The InChIKey is FNKHLPPNCRQYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-8-5-10-4-3-9(8)13-7-11-6-12-13/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-4-(1,2,4-triazol-1-yl)pyridine?
3-ethyl-4-(1,2,4-triazol-1-yl)pyridine has a molecular weight of 174.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 70310862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).