N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide

C18H15N5O — CID 2035062

IUPACN-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide
SMILESCC(=O)NCc1nnc2c3ccccc3c(-c3ccccc3)nn12
InChIInChI=1S/C18H15N5O/c1-12(24)19-11-16-20-21-18-15-10-6-5-9-14(15)17(22-23(16)18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,24)
InChIKeyCSWILLDPSWTCBK-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.58
Rot. Bonds3

About N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide

N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide (PubChem CID 2035062) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide
PubChem CID2035062
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide
SMILESCC(=O)NCc1nnc2c3ccccc3c(-c3ccccc3)nn12
InChIInChI=1S/C18H15N5O/c1-12(24)19-11-16-20-21-18-15-10-6-5-9-14(15)17(22-23(16)18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,24)
InChIKeyCSWILLDPSWTCBK-UHFFFAOYSA-N
XLogP2.58
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]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

4-methyl-N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]benzenesulfonamide
CID 4870631
N-(4-methoxyphenyl)-2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]acetamide
CID 18576915
methyl 4-[[2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 30603325
6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-one
CID 23875751
N,2-dimethyl-5-(3-propyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide
CID 4910939
N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide
CID 10707880
2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 30603452
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
4-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)butanoic acid
CID 82167258
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-5-[3-(methylsulfanylmethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]benzenesulfonamide
CID 41092079
N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
CID 46987299
2-methyl-5-[3-(methylsulfanylmethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]benzenesulfonamide
CID 4904359

Frequently Asked Questions

What is the IUPAC name of N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide?
The IUPAC name of N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide (CID 2035062) is N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide is CC(=O)NCc1nnc2c3ccccc3c(-c3ccccc3)nn12.
What is the InChIKey of N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide?
The InChIKey is CSWILLDPSWTCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12(24)19-11-16-20-21-18-15-10-6-5-9-14(15)17(22-23(16)18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,24).
What are the key properties of N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide?
N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide is sourced from PubChem (CID 2035062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).