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

C17H13ClN6O3 — CID 20869659

IUPAC2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)NCc1ccco1
InChIInChI=1S/C17H13ClN6O3/c18-11-3-1-4-12(7-11)24-16-15(21-22-24)17(26)23(10-20-16)9-14(25)19-8-13-5-2-6-27-13/h1-7,10H,8-9H2,(H,19,25)
InChIKeyHRGCVDMEVODITR-UHFFFAOYSA-N
MW384.78 g/mol
LogP1.54
Rot. Bonds5

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

2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 20869659) has the molecular formula C17H13ClN6O3 and a molecular weight of 384.78 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID20869659
Molecular FormulaC17H13ClN6O3
Molecular Weight384.78 g/mol
Exact Mass384.07
IUPAC Name2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)NCc1ccco1
InChIInChI=1S/C17H13ClN6O3/c18-11-3-1-4-12(7-11)24-16-15(21-22-24)17(26)23(10-20-16)9-14(25)19-8-13-5-2-6-27-13/h1-7,10H,8-9H2,(H,19,25)
InChIKeyHRGCVDMEVODITR-UHFFFAOYSA-N
XLogP1.54
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-[3-(3-methoxyphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869685
N-(3-chlorophenyl)-2-[3-(3,4-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 7476442
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869598
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 7111154
2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-methylacetamide
CID 7475997
3-(3-chlorophenyl)-6-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869665
2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-propan-2-ylacetamide
CID 7475905
2-[3-(3,4-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-propylacetamide
CID 7476354
N-[(2-chlorophenyl)methyl]-2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799484
2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 7200001
N-(furan-2-ylmethyl)-2-(4-oxo-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-3-yl)acetamide
CID 45106625
N-tert-butyl-2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 7476000

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide (CID 20869659) is 2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)NCc1ccco1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HRGCVDMEVODITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O3/c18-11-3-1-4-12(7-11)24-16-15(21-22-24)17(26)23(10-20-16)9-14(25)19-8-13-5-2-6-27-13/h1-7,10H,8-9H2,(H,19,25).
What are the key properties of 2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 384.78 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 20869659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).