3-(1H-1,2,4-triazol-5-ylmethyl)pyridine

C8H8N4 — CID 18700646

IUPAC3-(1H-1,2,4-triazol-5-ylmethyl)pyridine
SMILESc1cncc(Cc2ncn[nH]2)c1
InChIInChI=1S/C8H8N4/c1-2-7(5-9-3-1)4-8-10-6-11-12-8/h1-3,5-6H,4H2,(H,10,11,12)
InChIKeyZIHFWLZWXSXASV-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.79
Rot. Bonds2

About 3-(1H-1,2,4-triazol-5-ylmethyl)pyridine

3-(1H-1,2,4-triazol-5-ylmethyl)pyridine (PubChem CID 18700646) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-ylmethyl)pyridine
PubChem CID18700646
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name3-(1H-1,2,4-triazol-5-ylmethyl)pyridine
SMILESc1cncc(Cc2ncn[nH]2)c1
InChIInChI=1S/C8H8N4/c1-2-7(5-9-3-1)4-8-10-6-11-12-8/h1-3,5-6H,4H2,(H,10,11,12)
InChIKeyZIHFWLZWXSXASV-UHFFFAOYSA-N
XLogP0.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
bis(pyridin-3-ylmethyl)azanium
CID 6946562
3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
CID 114289848
6-(pyridin-3-ylmethyl)-1H-indazole
CID 174925312
N-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]acetamide
CID 59942874
2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109062
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one
CID 106521313
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
3-ethylpyridine
CID 10823
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
dimethyl-pyridin-3-yl-(pyridin-3-ylmethyl)silane
CID 117059217

Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-ylmethyl)pyridine?
The IUPAC name of 3-(1H-1,2,4-triazol-5-ylmethyl)pyridine (CID 18700646) is 3-(1H-1,2,4-triazol-5-ylmethyl)pyridine.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-ylmethyl)pyridine?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-ylmethyl)pyridine is c1cncc(Cc2ncn[nH]2)c1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-ylmethyl)pyridine?
The InChIKey is ZIHFWLZWXSXASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-7(5-9-3-1)4-8-10-6-11-12-8/h1-3,5-6H,4H2,(H,10,11,12).
What are the key properties of 3-(1H-1,2,4-triazol-5-ylmethyl)pyridine?
3-(1H-1,2,4-triazol-5-ylmethyl)pyridine has a molecular weight of 160.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-ylmethyl)pyridine is sourced from PubChem (CID 18700646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).