N-(thiolan-3-yl)-2H-triazole-4-carboxamide

C7H10N4OS — CID 103708615

IUPACN-(thiolan-3-yl)-2H-triazole-4-carboxamide
SMILESO=C(NC1CCSC1)c1cn[nH]n1
InChIInChI=1S/C7H10N4OS/c12-7(6-3-8-11-10-6)9-5-1-2-13-4-5/h3,5H,1-2,4H2,(H,9,12)(H,8,10,11)
InChIKeyMELIZZOENNHHNC-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.04
Rot. Bonds2

About N-(thiolan-3-yl)-2H-triazole-4-carboxamide

N-(thiolan-3-yl)-2H-triazole-4-carboxamide (PubChem CID 103708615) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is N-(thiolan-3-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(thiolan-3-yl)-2H-triazole-4-carboxamide
PubChem CID103708615
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC NameN-(thiolan-3-yl)-2H-triazole-4-carboxamide
SMILESO=C(NC1CCSC1)c1cn[nH]n1
InChIInChI=1S/C7H10N4OS/c12-7(6-3-8-11-10-6)9-5-1-2-13-4-5/h3,5H,1-2,4H2,(H,9,12)(H,8,10,11)
InChIKeyMELIZZOENNHHNC-UHFFFAOYSA-N
XLogP0.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(thiolan-3-yl)-2H-triazole-4-carboxamide (CID 103708615) is N-(thiolan-3-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(thiolan-3-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(thiolan-3-yl)-2H-triazole-4-carboxamide is O=C(NC1CCSC1)c1cn[nH]n1.
What is the InChIKey of N-(thiolan-3-yl)-2H-triazole-4-carboxamide?
The InChIKey is MELIZZOENNHHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c12-7(6-3-8-11-10-6)9-5-1-2-13-4-5/h3,5H,1-2,4H2,(H,9,12)(H,8,10,11).
What are the key properties of N-(thiolan-3-yl)-2H-triazole-4-carboxamide?
N-(thiolan-3-yl)-2H-triazole-4-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 103708615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).