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

C17H18N4O2 — CID 169098828

IUPAC2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccc2cnn(CC(=O)N[C@@H](C)c3ccccc3)c(=O)n12
InChIInChI=1S/C17H18N4O2/c1-12-8-9-15-10-18-20(17(23)21(12)15)11-16(22)19-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyVKCKYKMOHLANBC-ZDUSSCGKSA-N
MW310.36 g/mol
LogP1.68
Rot. Bonds4

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

2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 169098828) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID169098828
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccc2cnn(CC(=O)N[C@@H](C)c3ccccc3)c(=O)n12
InChIInChI=1S/C17H18N4O2/c1-12-8-9-15-10-18-20(17(23)21(12)15)11-16(22)19-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyVKCKYKMOHLANBC-ZDUSSCGKSA-N
XLogP1.68
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide with MolForge

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Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide
CID 176755724
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetamide
CID 170222168
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
1-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2224766
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95112936
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(1-phenylethyl)acetamide
CID 53196767

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-phenylethyl]acetamide?
The IUPAC name of 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 169098828) is 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide is Cc1ccc2cnn(CC(=O)N[C@@H](C)c3ccccc3)c(=O)n12.
What is the InChIKey of 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is VKCKYKMOHLANBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-8-9-15-10-18-20(17(23)21(12)15)11-16(22)19-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,22)/t13-/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-phenylethyl]acetamide?
2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.68, 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-phenylethyl]acetamide is sourced from PubChem (CID 169098828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).