3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide

C8H9N5OS — CID 61117796

IUPAC3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H9N5OS/c9-5-1-2-15-7(5)8(14)10-3-6-11-4-12-13-6/h1-2,4H,3,9H2,(H,10,14)(H,11,12,13)
InChIKeyZPJVLMWLNGAZHC-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.38
Rot. Bonds3

About 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide

3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide (PubChem CID 61117796) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
PubChem CID61117796
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H9N5OS/c9-5-1-2-15-7(5)8(14)10-3-6-11-4-12-13-6/h1-2,4H,3,9H2,(H,10,14)(H,11,12,13)
InChIKeyZPJVLMWLNGAZHC-UHFFFAOYSA-N
XLogP0.38
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide (CID 61117796) is 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)NCc1ncn[nH]1.
What is the InChIKey of 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
The InChIKey is ZPJVLMWLNGAZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c9-5-1-2-15-7(5)8(14)10-3-6-11-4-12-13-6/h1-2,4H,3,9H2,(H,10,14)(H,11,12,13).
What are the key properties of 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide?
3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61117796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).