N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide

C14H21N5O2 — CID 95833611

IUPACN-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide
SMILESCC[C@H](C)NC(=O)CN1C(=O)N(C)N(C)c2ncccc21
InChIInChI=1S/C14H21N5O2/c1-5-10(2)16-12(20)9-19-11-7-6-8-15-13(11)17(3)18(4)14(19)21/h6-8,10H,5,9H2,1-4H3,(H,16,20)/t10-/m0/s1
InChIKeyAOOVXXOLLKOXBP-JTQLQIEISA-N
MW291.35 g/mol
LogP1.22
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide

N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide (PubChem CID 95833611) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide
PubChem CID95833611
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide
SMILESCC[C@H](C)NC(=O)CN1C(=O)N(C)N(C)c2ncccc21
InChIInChI=1S/C14H21N5O2/c1-5-10(2)16-12(20)9-19-11-7-6-8-15-13(11)17(3)18(4)14(19)21/h6-8,10H,5,9H2,1-4H3,(H,16,20)/t10-/m0/s1
InChIKeyAOOVXXOLLKOXBP-JTQLQIEISA-N
XLogP1.22
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide
CID 110214253
2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 16675996
N-butan-2-yl-2-(5-cyclohexyl-3-methyl-2,4-dioxo-1,3,5-benzotriazepin-1-yl)acetamide
CID 102579736
N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide
CID 61357562
N-butan-2-yl-2-methyl-3-oxo-4-propan-2-yl-2H-pyrido[2,3-b]pyrazine-1-carboxamide
CID 46396742
N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096902
N-butan-2-yl-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148501
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 7819698
N-[(2S)-butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28522105
N-butan-2-yl-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)propanamide
CID 46341074
N-butan-2-yl-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide
CID 20948648
2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 47473943

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide (CID 95833611) is N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide is CC[C@H](C)NC(=O)CN1C(=O)N(C)N(C)c2ncccc21.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide?
The InChIKey is AOOVXXOLLKOXBP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O2/c1-5-10(2)16-12(20)9-19-11-7-6-8-15-13(11)17(3)18(4)14(19)21/h6-8,10H,5,9H2,1-4H3,(H,16,20)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide is sourced from PubChem (CID 95833611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).