4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide

C7H6N6OS — CID 114914399

IUPAC4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1nnns1
InChIInChI=1S/C7H6N6OS/c8-5-1-2-9-3-4(5)6(14)10-7-11-12-13-15-7/h1-3H,(H2,8,9)(H,10,11,13,14)
InChIKeyZHXXZPSZAPEIRE-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.16
Rot. Bonds2

About 4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide

4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide (PubChem CID 114914399) has the molecular formula C7H6N6OS and a molecular weight of 222.23 g/mol. Its IUPAC name is 4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide
PubChem CID114914399
Molecular FormulaC7H6N6OS
Molecular Weight222.23 g/mol
Exact Mass222.03
IUPAC Name4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1nnns1
InChIInChI=1S/C7H6N6OS/c8-5-1-2-9-3-4(5)6(14)10-7-11-12-13-15-7/h1-3H,(H2,8,9)(H,10,11,13,14)
InChIKeyZHXXZPSZAPEIRE-UHFFFAOYSA-N
XLogP0.16
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide (CID 114914399) is 4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide is Nc1ccncc1C(=O)Nc1nnns1.
What is the InChIKey of 4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
The InChIKey is ZHXXZPSZAPEIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6OS/c8-5-1-2-9-3-4(5)6(14)10-7-11-12-13-15-7/h1-3H,(H2,8,9)(H,10,11,13,14).
What are the key properties of 4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide?
4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide has a molecular weight of 222.23 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114914399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).