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

C10H12N4 — CID 115394759

IUPAC4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine
SMILESCCn1cnnc1Cc1ccncc1
InChIInChI=1S/C10H12N4/c1-2-14-8-12-13-10(14)7-9-3-5-11-6-4-9/h3-6,8H,2,7H2,1H3
InChIKeyRCKCNHJXMCFCIF-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.28
Rot. Bonds3

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

4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine (PubChem CID 115394759) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine
PubChem CID115394759
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine
SMILESCCn1cnnc1Cc1ccncc1
InChIInChI=1S/C10H12N4/c1-2-14-8-12-13-10(14)7-9-3-5-11-6-4-9/h3-6,8H,2,7H2,1H3
InChIKeyRCKCNHJXMCFCIF-UHFFFAOYSA-N
XLogP1.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 82468722
3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole
CID 115394894
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
3-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-1,2,4-triazole
CID 115394879
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 18726727
1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62692789
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106302599
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 106302999
3-[(3,4-dichlorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113301298
4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 115395118
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987229

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine?
The IUPAC name of 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine (CID 115394759) is 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine.
What is the SMILES notation for 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine?
The canonical SMILES for 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine is CCn1cnnc1Cc1ccncc1.
What is the InChIKey of 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine?
The InChIKey is RCKCNHJXMCFCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-14-8-12-13-10(14)7-9-3-5-11-6-4-9/h3-6,8H,2,7H2,1H3.
What are the key properties of 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine?
4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine has a molecular weight of 188.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine is sourced from PubChem (CID 115394759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).