2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide

C23H24N4O2 — CID 20893863

IUPAC2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(C)cc1)n1ncn2c(cc3cc(C)ccc32)c1=O
InChIInChI=1S/C23H24N4O2/c1-4-19(22(28)24-13-17-8-5-15(2)6-9-17)27-23(29)21-12-18-11-16(3)7-10-20(18)26(21)14-25-27/h5-12,14,19H,4,13H2,1-3H3,(H,24,28)
InChIKeyFZGKSZKWTUVHEN-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.53
Rot. Bonds5

About 2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide

2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 20893863) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID20893863
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(C)cc1)n1ncn2c(cc3cc(C)ccc32)c1=O
InChIInChI=1S/C23H24N4O2/c1-4-19(22(28)24-13-17-8-5-15(2)6-9-17)27-23(29)21-12-18-11-16(3)7-10-20(18)26(21)14-25-27/h5-12,14,19H,4,13H2,1-3H3,(H,24,28)
InChIKeyFZGKSZKWTUVHEN-UHFFFAOYSA-N
XLogP3.53
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide
CID 122176580
(2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide
CID 92716649
N-[(2,3-dimethoxyphenyl)methyl]-2-(9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)butanamide
CID 20893793
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 20884947
N-(1,3-benzodioxol-5-ylmethyl)-2-indazol-1-ylbutanamide
CID 122176591
N-benzyl-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)butanamide
CID 53090797
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
N-[(4-chlorophenyl)methyl]-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 22514130
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 53044116
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide
CID 92880726
N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 6623376

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide (CID 20893863) is 2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide is CCC(C(=O)NCc1ccc(C)cc1)n1ncn2c(cc3cc(C)ccc32)c1=O.
What is the InChIKey of 2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is FZGKSZKWTUVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-19(22(28)24-13-17-8-5-15(2)6-9-17)27-23(29)21-12-18-11-16(3)7-10-20(18)26(21)14-25-27/h5-12,14,19H,4,13H2,1-3H3,(H,24,28).
What are the key properties of 2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide?
2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 388.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 20893863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).