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

C18H15N5O — CID 4910545

IUPACN-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C18H15N5O/c1-11-13-7-3-4-8-14(13)17-20-21-18(23(17)22-11)15-9-5-6-10-16(15)19-12(2)24/h3-10H,1-2H3,(H,19,24)
InChIKeyQUNWARKKMVOTEP-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.21
Rot. Bonds2

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

N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide (PubChem CID 4910545) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide
PubChem CID4910545
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C18H15N5O/c1-11-13-7-3-4-8-14(13)17-20-21-18(23(17)22-11)15-9-5-6-10-16(15)19-12(2)24/h3-10H,1-2H3,(H,19,24)
InChIKeyQUNWARKKMVOTEP-UHFFFAOYSA-N
XLogP3.21
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 139616221
3,6-dimethyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 13185783
2-chloro-N-[2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide
CID 2012517
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 2988650
6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 86236093
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 139616217
N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
CID 91062739
N-(3-hydroxypropyl)-4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
CID 3813990
4-methoxy-N-[[5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]methyl]benzamide
CID 4907253
N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17198117
4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 3338231
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 86236091

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide?
The IUPAC name of N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide (CID 4910545) is N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide is CC(=O)Nc1ccccc1-c1nnc2c3ccccc3c(C)nn12.
What is the InChIKey of N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide?
The InChIKey is QUNWARKKMVOTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-13-7-3-4-8-14(13)17-20-21-18(23(17)22-11)15-9-5-6-10-16(15)19-12(2)24/h3-10H,1-2H3,(H,19,24).
What are the key properties of N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide?
N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 4910545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).