N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide

C10H7N5O3 — CID 135465191

IUPACN-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide
SMILESO=C(Nc1cc(=O)[nH]c2ncnn12)c1ccco1
InChIInChI=1S/C10H7N5O3/c16-8-4-7(15-10(14-8)11-5-12-15)13-9(17)6-2-1-3-18-6/h1-5H,(H,13,17)(H,11,12,14,16)
InChIKeyDITGEVSMVKPCPJ-UHFFFAOYSA-N
MW245.20 g/mol
LogP0.26
Rot. Bonds2

About N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide

N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide (PubChem CID 135465191) has the molecular formula C10H7N5O3 and a molecular weight of 245.20 g/mol. Its IUPAC name is N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide
PubChem CID135465191
Molecular FormulaC10H7N5O3
Molecular Weight245.20 g/mol
Exact Mass245.05
IUPAC NameN-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide
SMILESO=C(Nc1cc(=O)[nH]c2ncnn12)c1ccco1
InChIInChI=1S/C10H7N5O3/c16-8-4-7(15-10(14-8)11-5-12-15)13-9(17)6-2-1-3-18-6/h1-5H,(H,13,17)(H,11,12,14,16)
InChIKeyDITGEVSMVKPCPJ-UHFFFAOYSA-N
XLogP0.26
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide?
The IUPAC name of N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide (CID 135465191) is N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide is O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccco1.
What is the InChIKey of N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide?
The InChIKey is DITGEVSMVKPCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3/c16-8-4-7(15-10(14-8)11-5-12-15)13-9(17)6-2-1-3-18-6/h1-5H,(H,13,17)(H,11,12,14,16).
What are the key properties of N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide?
N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide has a molecular weight of 245.20 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide is sourced from PubChem (CID 135465191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).