(7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C11H11N5O3 — CID 135881351

IUPAC(7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2ccco2)n2ncnc2N1
InChIInChI=1S/C11H11N5O3/c17-9-4-8(16-11(15-9)13-6-14-16)10(18)12-5-7-2-1-3-19-7/h1-3,6,8H,4-5H2,(H,12,18)(H,13,14,15,17)/t8-/m1/s1
InChIKeyZAHGNPHQROSPHL-MRVPVSSYSA-N
MW261.24 g/mol
LogP0.07
Rot. Bonds3

About (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

(7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135881351) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135881351
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name(7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2ccco2)n2ncnc2N1
InChIInChI=1S/C11H11N5O3/c17-9-4-8(16-11(15-9)13-6-14-16)10(18)12-5-7-2-1-3-19-7/h1-3,6,8H,4-5H2,(H,12,18)(H,13,14,15,17)/t8-/m1/s1
InChIKeyZAHGNPHQROSPHL-MRVPVSSYSA-N
XLogP0.07
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 3160703
(2S)-N-(furan-2-ylmethyl)-1-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]pyrrolidine-2-carboxamide
CID 97016759
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2980428
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
(2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
CID 99636793
N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 110876478
(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94021658
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 66288226
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
(2R)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 99636768

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135881351) is (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is O=C1C[C@H](C(=O)NCc2ccco2)n2ncnc2N1.
What is the InChIKey of (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is ZAHGNPHQROSPHL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11N5O3/c17-9-4-8(16-11(15-9)13-6-14-16)10(18)12-5-7-2-1-3-19-7/h1-3,6,8H,4-5H2,(H,12,18)(H,13,14,15,17)/t8-/m1/s1.
What are the key properties of (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
(7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135881351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).