N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide

C14H15N5O3 — CID 135532027

IUPACN-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(=O)[nH]c2nc(-c3ccco3)nn12
InChIInChI=1S/C14H15N5O3/c1-8(2)6-11(20)15-10-7-12(21)16-14-17-13(18-19(10)14)9-4-3-5-22-9/h3-5,7-8H,6H2,1-2H3,(H,15,20)(H,16,17,18,21)
InChIKeyPSAFAMGGMRJINY-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.66
Rot. Bonds4

About N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide

N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide (PubChem CID 135532027) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide
PubChem CID135532027
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC NameN-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(=O)[nH]c2nc(-c3ccco3)nn12
InChIInChI=1S/C14H15N5O3/c1-8(2)6-11(20)15-10-7-12(21)16-14-17-13(18-19(10)14)9-4-3-5-22-9/h3-5,7-8H,6H2,1-2H3,(H,15,20)(H,16,17,18,21)
InChIKeyPSAFAMGGMRJINY-UHFFFAOYSA-N
XLogP1.66
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide
CID 135472206
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
CID 135519706
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide
CID 135448562
N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135520836
N-[4-(furan-2-yl)phenyl]-3-methylbutanamide
CID 168525798
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-dimethylbutanamide
CID 136614803
N-ethyl-2-(furan-2-yl)-N-methyl-5-(methylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 142146607
4-tert-butyl-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135456277
N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide
CID 136615279
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide
CID 136614882
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylbenzamide
CID 135520756

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide?
The IUPAC name of N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide (CID 135532027) is N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1cc(=O)[nH]c2nc(-c3ccco3)nn12.
What is the InChIKey of N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide?
The InChIKey is PSAFAMGGMRJINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-8(2)6-11(20)15-10-7-12(21)16-14-17-13(18-19(10)14)9-4-3-5-22-9/h3-5,7-8H,6H2,1-2H3,(H,15,20)(H,16,17,18,21).
What are the key properties of N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide?
N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide has a molecular weight of 301.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide is sourced from PubChem (CID 135532027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).