N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide

C14H14N6OS — CID 119104887

IUPACN-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2nccn3cnnc23)C1)c1ccsc1
InChIInChI=1S/C14H14N6OS/c21-14(10-2-6-22-8-10)17-11-1-4-19(7-11)12-13-18-16-9-20(13)5-3-15-12/h2-3,5-6,8-9,11H,1,4,7H2,(H,17,21)
InChIKeyXHXNXGODYSBZSG-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.19
Rot. Bonds3

About N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide

N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide (PubChem CID 119104887) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
PubChem CID119104887
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC NameN-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2nccn3cnnc23)C1)c1ccsc1
InChIInChI=1S/C14H14N6OS/c21-14(10-2-6-22-8-10)17-11-1-4-19(7-11)12-13-18-16-9-20(13)5-3-15-12/h2-3,5-6,8-9,11H,1,4,7H2,(H,17,21)
InChIKeyXHXNXGODYSBZSG-UHFFFAOYSA-N
XLogP1.19
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide (CID 119104887) is N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide is O=C(NC1CCN(c2nccn3cnnc23)C1)c1ccsc1.
What is the InChIKey of N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The InChIKey is XHXNXGODYSBZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-14(10-2-6-22-8-10)17-11-1-4-19(7-11)12-13-18-16-9-20(13)5-3-15-12/h2-3,5-6,8-9,11H,1,4,7H2,(H,17,21).
What are the key properties of N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 119104887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).