N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C19H17N7O3 — CID 46959746

IUPACN-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C19H17N7O3/c27-17(12-16-14-8-4-5-9-15(14)18(28)22-21-16)20-10-11-25-19(29)26(24-23-25)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,27)(H,22,28)
InChIKeySQAILQFSNIJEHV-UHFFFAOYSA-N
MW391.39 g/mol
LogP0.02
Rot. Bonds6

About N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 46959746) has the molecular formula C19H17N7O3 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID46959746
Molecular FormulaC19H17N7O3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC NameN-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C19H17N7O3/c27-17(12-16-14-8-4-5-9-15(14)18(28)22-21-16)20-10-11-25-19(29)26(24-23-25)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,27)(H,22,28)
InChIKeySQAILQFSNIJEHV-UHFFFAOYSA-N
XLogP0.02
TPSA127.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)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

CID 709340
CID 709340
CID 600118
CID 600118
CID 1482294
CID 1482294
CID 25133279
CID 25133279
CID 2714733
CID 2714733
CID 4885704
CID 4885704
CID 648380
CID 648380
CID 745849
CID 745849
CID 1306519
CID 1306519
CID 18444370
CID 18444370
CID 44402096
CID 44402096
CID 44402230
CID 44402230

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 46959746) is N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1nnn(-c2ccccc2)c1=O.
What is the InChIKey of N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is SQAILQFSNIJEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3/c27-17(12-16-14-8-4-5-9-15(14)18(28)22-21-16)20-10-11-25-19(29)26(24-23-25)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,27)(H,22,28).
What are the key properties of N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 391.39 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 46959746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).