2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide

C13H23N5O — CID 114387208

IUPAC2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1nnc(CC)c(CC)n1
InChIInChI=1S/C13H23N5O/c1-4-7-9(8-14)12(19)16-13-15-10(5-2)11(6-3)17-18-13/h9H,4-8,14H2,1-3H3,(H,15,16,18,19)
InChIKeyMTVMDOZGXCGTDI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.31
Rot. Bonds7

About 2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide

2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide (PubChem CID 114387208) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide
PubChem CID114387208
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1nnc(CC)c(CC)n1
InChIInChI=1S/C13H23N5O/c1-4-7-9(8-14)12(19)16-13-15-10(5-2)11(6-3)17-18-13/h9H,4-8,14H2,1-3H3,(H,15,16,18,19)
InChIKeyMTVMDOZGXCGTDI-UHFFFAOYSA-N
XLogP1.31
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide
CID 114387164
1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide
CID 114387210
2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
CID 114387944
2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
CID 114387635
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564259
2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide
CID 112741868
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 65225533
N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
CID 146099011
3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105363517

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide (CID 114387208) is 2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide is CCCC(CN)C(=O)Nc1nnc(CC)c(CC)n1.
What is the InChIKey of 2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide?
The InChIKey is MTVMDOZGXCGTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-7-9(8-14)12(19)16-13-15-10(5-2)11(6-3)17-18-13/h9H,4-8,14H2,1-3H3,(H,15,16,18,19).
What are the key properties of 2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide?
2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide has a molecular weight of 265.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide is sourced from PubChem (CID 114387208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).