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

C7H11N5O3S — CID 110484766

IUPAC5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H11N5O3S/c8-6-5(10-12-11-6)7(13)9-4-1-2-16(14,15)3-4/h4H,1-3H2,(H,9,13)(H3,8,10,11,12)
InChIKeyUAHMJIGLPFJAAA-UHFFFAOYSA-N
MW245.26 g/mol
LogP-1.70
Rot. Bonds2

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

5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide (PubChem CID 110484766) has the molecular formula C7H11N5O3S and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
PubChem CID110484766
Molecular FormulaC7H11N5O3S
Molecular Weight245.26 g/mol
Exact Mass245.06
IUPAC Name5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H11N5O3S/c8-6-5(10-12-11-6)7(13)9-4-1-2-16(14,15)3-4/h4H,1-3H2,(H,9,13)(H3,8,10,11,12)
InChIKeyUAHMJIGLPFJAAA-UHFFFAOYSA-N
XLogP-1.70
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-cyclobutyl-2H-triazole-4-carboxamide
CID 105439344
N-(1,1-dioxothiolan-3-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691884
5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617754
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30789067
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-3-carboxamide
CID 45147682
3-amino-N-(1,1-dioxothian-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 63923924
N-(1,1-dioxothiolan-3-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467785
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide
CID 65357083

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide (CID 110484766) is 5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide is Nc1n[nH]nc1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide?
The InChIKey is UAHMJIGLPFJAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3S/c8-6-5(10-12-11-6)7(13)9-4-1-2-16(14,15)3-4/h4H,1-3H2,(H,9,13)(H3,8,10,11,12).
What are the key properties of 5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide?
5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide has a molecular weight of 245.26 g/mol, XLogP of -1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110484766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).