3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C10H9N5OS — CID 67026510

IUPAC3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNC(=O)C1=CCN2N=CN(c3nccs3)C=C12
InChIInChI=1S/C10H9N5OS/c11-9(16)7-1-3-15-8(7)5-14(6-13-15)10-12-2-4-17-10/h1-2,4-6H,3H2,(H2,11,16)
InChIKeyHARNQEOYZGIOHE-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.48
Rot. Bonds2

About 3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 67026510) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID67026510
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNC(=O)C1=CCN2N=CN(c3nccs3)C=C12
InChIInChI=1S/C10H9N5OS/c11-9(16)7-1-3-15-8(7)5-14(6-13-15)10-12-2-4-17-10/h1-2,4-6H,3H2,(H2,11,16)
InChIKeyHARNQEOYZGIOHE-UHFFFAOYSA-N
XLogP0.48
TPSA74.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(1,3-thiazol-2-yl)-2H-pyrazine-3-carboxamide
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3-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 67026510) is 3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is NC(=O)C1=CCN2N=CN(c3nccs3)C=C12.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is HARNQEOYZGIOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c11-9(16)7-1-3-15-8(7)5-14(6-13-15)10-12-2-4-17-10/h1-2,4-6H,3H2,(H2,11,16).
What are the key properties of 3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 67026510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).