N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide

C12H17N5O — CID 114387662

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1nnc(CC)c(CC)n1
InChIInChI=1S/C12H17N5O/c1-4-7-13-8-11(18)15-12-14-9(5-2)10(6-3)16-17-12/h1,13H,5-8H2,2-3H3,(H,14,15,17,18)
InChIKeyAVNHQFNUMFAPNK-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.16
Rot. Bonds6

About N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide

N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide (PubChem CID 114387662) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide
PubChem CID114387662
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1nnc(CC)c(CC)n1
InChIInChI=1S/C12H17N5O/c1-4-7-13-8-11(18)15-12-14-9(5-2)10(6-3)16-17-12/h1,13H,5-8H2,2-3H3,(H,14,15,17,18)
InChIKeyAVNHQFNUMFAPNK-UHFFFAOYSA-N
XLogP0.16
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287533
2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide
CID 114387609
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
1-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopentane-1-carboxamide
CID 114387937
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800
2-bromo-N-(5,6-diethyl-1,2,4-triazin-3-yl)butanamide
CID 114387164
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362757
2-cyano-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
CID 114387944
N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
CID 114388199
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide
CID 114388978
1-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxamide
CID 114387210
N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide (CID 114387662) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1nnc(CC)c(CC)n1.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is AVNHQFNUMFAPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-7-13-8-11(18)15-12-14-9(5-2)10(6-3)16-17-12/h1,13H,5-8H2,2-3H3,(H,14,15,17,18).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 114387662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).