2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide

C15H15N7O3 — CID 91822756

IUPAC2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide
SMILESCC(=O)N1CC(Nc2cccc(-c3nnn(CC(N)=O)n3)c2)=CC1=O
InChIInChI=1S/C15H15N7O3/c1-9(23)21-7-12(6-14(21)25)17-11-4-2-3-10(5-11)15-18-20-22(19-15)8-13(16)24/h2-6,17H,7-8H2,1H3,(H2,16,24)
InChIKeyOCVZUWHKFXEGMW-UHFFFAOYSA-N
MW341.33 g/mol
LogP-0.49
Rot. Bonds5

About 2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide

2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide (PubChem CID 91822756) has the molecular formula C15H15N7O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide
PubChem CID91822756
Molecular FormulaC15H15N7O3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide
SMILESCC(=O)N1CC(Nc2cccc(-c3nnn(CC(N)=O)n3)c2)=CC1=O
InChIInChI=1S/C15H15N7O3/c1-9(23)21-7-12(6-14(21)25)17-11-4-2-3-10(5-11)15-18-20-22(19-15)8-13(16)24/h2-6,17H,7-8H2,1H3,(H2,16,24)
InChIKeyOCVZUWHKFXEGMW-UHFFFAOYSA-N
XLogP-0.49
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of 2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide (CID 91822756) is 2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for 2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide is CC(=O)N1CC(Nc2cccc(-c3nnn(CC(N)=O)n3)c2)=CC1=O.
What is the InChIKey of 2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is OCVZUWHKFXEGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3/c1-9(23)21-7-12(6-14(21)25)17-11-4-2-3-10(5-11)15-18-20-22(19-15)8-13(16)24/h2-6,17H,7-8H2,1H3,(H2,16,24).
What are the key properties of 2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide?
2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 341.33 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 91822756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).