2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide

C18H16N6O3 — CID 5310524

IUPAC2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)NCc1ccco1
InChIInChI=1S/C18H16N6O3/c25-15(19-9-14-7-4-8-27-14)11-23-12-20-17-16(18(23)26)21-22-24(17)10-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,19,25)
InChIKeyRLRCPBCOUNGYPI-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.95
Rot. Bonds6

About 2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide

2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 5310524) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID5310524
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)NCc1ccco1
InChIInChI=1S/C18H16N6O3/c25-15(19-9-14-7-4-8-27-14)11-23-12-20-17-16(18(23)26)21-22-24(17)10-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,19,25)
InChIKeyRLRCPBCOUNGYPI-UHFFFAOYSA-N
XLogP0.95
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1H-Purine-2,6-dione, 3,7-dihydro-8-((2-furanylmethyl)amino)-3-methyl-7-(phenylmethyl)-
CID 1084944
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide
CID 3236382
5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 3237565
5-amino-N-(2-furylmethyl)-1-{2-[(3-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
CID 15990733
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
8-((furan-2-ylmethyl)amino)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CID 657471
2-[3-(4-chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide
CID 3236984
5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide
CID 3241170
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(furan-2-ylmethyl)acetamide
CID 3242504
5-amino-1-(3,5-dimethylphenyl)-N-(furan-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3245543
5-Amino-1-(2-anilino-2-oxoethyl)-N~4~-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3279863
8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione
CID 5389871

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide (CID 5310524) is 2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide is O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)NCc1ccco1.
What is the InChIKey of 2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RLRCPBCOUNGYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c25-15(19-9-14-7-4-8-27-14)11-23-12-20-17-16(18(23)26)21-22-24(17)10-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,19,25).
What are the key properties of 2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 364.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 5310524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).