[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C15H14N6O5 — CID 2465250

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccnc2nc(C(=O)OCC(=O)NC(=O)NCc3ccco3)nn12
InChIInChI=1S/C15H14N6O5/c1-9-4-5-16-14-19-12(20-21(9)14)13(23)26-8-11(22)18-15(24)17-7-10-3-2-6-25-10/h2-6H,7-8H2,1H3,(H2,17,18,22,24)
InChIKeyKPPPYTHLDHPEPV-UHFFFAOYSA-N
MW358.31 g/mol
LogP0.21
Rot. Bonds5

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 2465250) has the molecular formula C15H14N6O5 and a molecular weight of 358.31 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID2465250
Molecular FormulaC15H14N6O5
Molecular Weight358.31 g/mol
Exact Mass358.10
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccnc2nc(C(=O)OCC(=O)NC(=O)NCc3ccco3)nn12
InChIInChI=1S/C15H14N6O5/c1-9-4-5-16-14-19-12(20-21(9)14)13(23)26-8-11(22)18-15(24)17-7-10-3-2-6-25-10/h2-6H,7-8H2,1H3,(H2,17,18,22,24)
InChIKeyKPPPYTHLDHPEPV-UHFFFAOYSA-N
XLogP0.21
TPSA140.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 11424684
N-(2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 11956193
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24768401
5-[[(4-Pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
CID 9887859
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 9929470
N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide
CID 11380183
8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid butylamide
CID 11652346
N-[6-(5-methyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768403
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-(dimethylamino)propanamide
CID 24768433
N'-[(E)-furan-2-ylmethylidene]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 6863675
Acetamide, 2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(2-furanylmethyl)-
CID 2302362
7-(2-Furyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-ylamine
CID 2764124

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 2465250) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is Cc1ccnc2nc(C(=O)OCC(=O)NC(=O)NCc3ccco3)nn12.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is KPPPYTHLDHPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O5/c1-9-4-5-16-14-19-12(20-21(9)14)13(23)26-8-11(22)18-15(24)17-7-10-3-2-6-25-10/h2-6H,7-8H2,1H3,(H2,17,18,22,24).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 358.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 2465250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).