3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide

C4H4N8OS — CID 114912512

IUPAC3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2nnns2)n1
InChIInChI=1S/C4H4N8OS/c5-3-6-1(8-9-3)2(13)7-4-10-11-12-14-4/h(H3,5,6,8,9)(H,7,10,12,13)
InChIKeyVJOYUAOVRUIWQO-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.11
Rot. Bonds2

About 3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 114912512) has the molecular formula C4H4N8OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID114912512
Molecular FormulaC4H4N8OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2nnns2)n1
InChIInChI=1S/C4H4N8OS/c5-3-6-1(8-9-3)2(13)7-4-10-11-12-14-4/h(H3,5,6,8,9)(H,7,10,12,13)
InChIKeyVJOYUAOVRUIWQO-UHFFFAOYSA-N
XLogP-1.11
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide
CID 114911590
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877
3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide
CID 64974852
3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807336
3-amino-1H-1,2,4-triazole-5-carboxamide
CID 18707494
3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 114387840
5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide
CID 114913702
6-amino-3-chloro-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914322
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62793698
4-bromo-N-(thiatriazol-5-yl)-1H-pyrrole-2-carboxamide
CID 114912775
3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 107680298
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 104618246

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide (CID 114912512) is 3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)Nc2nnns2)n1.
What is the InChIKey of 3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is VJOYUAOVRUIWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N8OS/c5-3-6-1(8-9-3)2(13)7-4-10-11-12-14-4/h(H3,5,6,8,9)(H,7,10,12,13).
What are the key properties of 3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 212.20 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 114912512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).