1H-1,2,4-Triazole, 5-(4-pyridyl)-

C7H6N4 — CID 203621

IUPAC4-(1H-1,2,4-triazol-5-yl)pyridine
SMILESC1=CN=CC=C1C2=NC=NN2
InChIInChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-9-5-10-11-7/h1-5H,(H,9,10,11)
InChIKeyOYJDWYWNACFAQB-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.60
Rot. Bonds1

About 1H-1,2,4-Triazole, 5-(4-pyridyl)-

1H-1,2,4-Triazole, 5-(4-pyridyl)- (PubChem CID 203621) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name1H-1,2,4-Triazole, 5-(4-pyridyl)-
PubChem CID203621
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name4-(1H-1,2,4-triazol-5-yl)pyridine
SMILESC1=CN=CC=C1C2=NC=NN2
InChIInChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-9-5-10-11-7/h1-5H,(H,9,10,11)
InChIKeyOYJDWYWNACFAQB-UHFFFAOYSA-N
XLogP0.60
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity122

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-1,2,4-Triazole, 5-(4-pyridyl)- with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Topiroxostat
CID 5288320
2-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 2803172
2-(3-(2-Pyridinyl)-1H-1,2,4-triazol-5-yl)pyridine
CID 314836
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918281
4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)
CID 2443499
5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
CID 199040
3-(Pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 215363
3-(2H-tetrazol-5-yl)pyridine
CID 151091
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6884762
Isonicotinaldehyde [4,6-di(1-pyrrolidinyl)-1,3,5-triazin-2-yl]hydrazone
CID 9592854
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092

Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-Triazole, 5-(4-pyridyl)-?
The IUPAC name of 1H-1,2,4-Triazole, 5-(4-pyridyl)- (CID 203621) is 4-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 1H-1,2,4-Triazole, 5-(4-pyridyl)-?
The canonical SMILES for 1H-1,2,4-Triazole, 5-(4-pyridyl)- is C1=CN=CC=C1C2=NC=NN2.
What is the InChIKey of 1H-1,2,4-Triazole, 5-(4-pyridyl)-?
The InChIKey is OYJDWYWNACFAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-9-5-10-11-7/h1-5H,(H,9,10,11).
What are the key properties of 1H-1,2,4-Triazole, 5-(4-pyridyl)-?
1H-1,2,4-Triazole, 5-(4-pyridyl)- has a molecular weight of 146.15 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-Triazole, 5-(4-pyridyl)- is sourced from PubChem (CID 203621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).