N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C18H13ClN6O2 — CID 8023982

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C18H13ClN6O2/c19-11-5-6-16(25-10-20-9-21-25)15(7-11)22-17(26)8-14-12-3-1-2-4-13(12)18(27)24-23-14/h1-7,9-10H,8H2,(H,22,26)(H,24,27)
InChIKeyGIGAQNZINNUAQB-UHFFFAOYSA-N
MW380.80 g/mol
LogP2.34
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 8023982) has the molecular formula C18H13ClN6O2 and a molecular weight of 380.80 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID8023982
Molecular FormulaC18H13ClN6O2
Molecular Weight380.80 g/mol
Exact Mass380.08
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C18H13ClN6O2/c19-11-5-6-16(25-10-20-9-21-25)15(7-11)22-17(26)8-14-12-3-1-2-4-13(12)18(27)24-23-14/h1-7,9-10H,8H2,(H,22,26)(H,24,27)
InChIKeyGIGAQNZINNUAQB-UHFFFAOYSA-N
XLogP2.34
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 8023982) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is GIGAQNZINNUAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O2/c19-11-5-6-16(25-10-20-9-21-25)15(7-11)22-17(26)8-14-12-3-1-2-4-13(12)18(27)24-23-14/h1-7,9-10H,8H2,(H,22,26)(H,24,27).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 380.80 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 8023982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).