4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione

C9H8N6S — CID 103119692

IUPAC4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione
SMILESNn1c(-c2cnn3ccccc23)n[nH]c1=S
InChIInChI=1S/C9H8N6S/c10-15-8(12-13-9(15)16)6-5-11-14-4-2-1-3-7(6)14/h1-5H,10H2,(H,13,16)
InChIKeyPMZZZOCLTDDWRO-UHFFFAOYSA-N
MW232.27 g/mol
LogP0.97
Rot. Bonds1

About 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione

4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione (PubChem CID 103119692) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione
PubChem CID103119692
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione
SMILESNn1c(-c2cnn3ccccc23)n[nH]c1=S
InChIInChI=1S/C9H8N6S/c10-15-8(12-13-9(15)16)6-5-11-14-4-2-1-3-7(6)14/h1-5H,10H2,(H,13,16)
InChIKeyPMZZZOCLTDDWRO-UHFFFAOYSA-N
XLogP0.97
TPSA76.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione 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

4-amino-3-(4-fluoronaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
CID 114088267
4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-amine
CID 103123806
5-methyl-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)-1H-pyrazol-3-amine
CID 177165112
5-pyrazolo[1,5-a]pyridin-3-yl-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 103118918
3-(6-methylpyridazin-3-yl)pyrazolo[1,5-a]pyridine
CID 121014681
3-(5-propyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine
CID 103119741
5-fluoro-6-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrazolo[3,4-b]pyridine
CID 59528106
4-amino-3-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-5-thione
CID 64950878
4-amino-3-(2-phenyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione
CID 139229785
4-amino-3-(3-methylquinoxalin-2-yl)-1H-1,2,4-triazole-5-thione
CID 45034798
(3-methyl-2-pyrazolo[1,5-a]pyridin-3-ylbenzimidazol-5-yl)methanamine
CID 103123342
4-amino-3-quinolin-5-yl-1H-1,2,4-triazole-5-thione
CID 62876398

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione (CID 103119692) is 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione is Nn1c(-c2cnn3ccccc23)n[nH]c1=S.
What is the InChIKey of 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione?
The InChIKey is PMZZZOCLTDDWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c10-15-8(12-13-9(15)16)6-5-11-14-4-2-1-3-7(6)14/h1-5H,10H2,(H,13,16).
What are the key properties of 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione?
4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione has a molecular weight of 232.27 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-pyrazolo[1,5-a]pyridin-3-yl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 103119692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).