2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C18H20N4O2 — CID 169098809

IUPAC2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)Cn2ncc3ccc(C)n3c2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-12-4-7-15(8-5-12)14(3)20-17(23)11-21-18(24)22-13(2)6-9-16(22)10-19-21/h4-10,14H,11H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeySHZBEUUMGJILIG-AWEZNQCLSA-N
MW324.38 g/mol
LogP1.99
Rot. Bonds4

About 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 169098809) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID169098809
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)Cn2ncc3ccc(C)n3c2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-12-4-7-15(8-5-12)14(3)20-17(23)11-21-18(24)22-13(2)6-9-16(22)10-19-21/h4-10,14H,11H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeySHZBEUUMGJILIG-AWEZNQCLSA-N
XLogP1.99
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 169098809) is 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)Cn2ncc3ccc(C)n3c2=O)cc1.
What is the InChIKey of 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is SHZBEUUMGJILIG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-4-7-15(8-5-12)14(3)20-17(23)11-21-18(24)22-13(2)6-9-16(22)10-19-21/h4-10,14H,11H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 169098809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).