3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide

C8H7N5OS — CID 114386731

IUPAC3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1nccnn1
InChIInChI=1S/C8H7N5OS/c9-5-1-4-15-6(5)7(14)12-8-10-2-3-11-13-8/h1-4H,9H2,(H,10,12,13,14)
InChIKeyMMVPVIMFPKMETJ-UHFFFAOYSA-N
MW221.25 g/mol
LogP0.77
Rot. Bonds2

About 3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide

3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide (PubChem CID 114386731) has the molecular formula C8H7N5OS and a molecular weight of 221.25 g/mol. Its IUPAC name is 3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
PubChem CID114386731
Molecular FormulaC8H7N5OS
Molecular Weight221.25 g/mol
Exact Mass221.04
IUPAC Name3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1nccnn1
InChIInChI=1S/C8H7N5OS/c9-5-1-4-15-6(5)7(14)12-8-10-2-3-11-13-8/h1-4H,9H2,(H,10,12,13,14)
InChIKeyMMVPVIMFPKMETJ-UHFFFAOYSA-N
XLogP0.77
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide (CID 114386731) is 3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide is Nc1ccsc1C(=O)Nc1nccnn1.
What is the InChIKey of 3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The InChIKey is MMVPVIMFPKMETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5OS/c9-5-1-4-15-6(5)7(14)12-8-10-2-3-11-13-8/h1-4H,9H2,(H,10,12,13,14).
What are the key properties of 3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide has a molecular weight of 221.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 114386731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).