N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C19H24N6O2 — CID 97122335

IUPACN-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)N[C@@H](CC(C)C)c2ncnn2C)c(=O)c2ccccc12
InChIInChI=1S/C19H24N6O2/c1-12(2)9-16(18-20-11-21-24(18)4)22-17(26)10-25-19(27)15-8-6-5-7-14(15)13(3)23-25/h5-8,11-12,16H,9-10H2,1-4H3,(H,22,26)/t16-/m0/s1
InChIKeyJIJQRJVPPYXPGX-INIZCTEOSA-N
MW368.44 g/mol
LogP1.74
Rot. Bonds6

About N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 97122335) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID97122335
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)N[C@@H](CC(C)C)c2ncnn2C)c(=O)c2ccccc12
InChIInChI=1S/C19H24N6O2/c1-12(2)9-16(18-20-11-21-24(18)4)22-17(26)10-25-19(27)15-8-6-5-7-14(15)13(3)23-25/h5-8,11-12,16H,9-10H2,1-4H3,(H,22,26)/t16-/m0/s1
InChIKeyJIJQRJVPPYXPGX-INIZCTEOSA-N
XLogP1.74
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 70728800
2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide
CID 91830303
N'-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-N-(2-methylphenyl)propanediamide
CID 50972141
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125438783
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
CID 125447617
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 29445007
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55782952
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 97122335) is N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)N[C@@H](CC(C)C)c2ncnn2C)c(=O)c2ccccc12.
What is the InChIKey of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is JIJQRJVPPYXPGX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12(2)9-16(18-20-11-21-24(18)4)22-17(26)10-25-19(27)15-8-6-5-7-14(15)13(3)23-25/h5-8,11-12,16H,9-10H2,1-4H3,(H,22,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 97122335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).