6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine

C13H21N5O — CID 106795461

IUPAC6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
SMILESC#CC(C)Oc1nc(NCC)nc(N(CC)CC)n1
InChIInChI=1S/C13H21N5O/c1-6-10(5)19-13-16-11(14-7-2)15-12(17-13)18(8-3)9-4/h1,10H,7-9H2,2-5H3,(H,14,15,16,17)
InChIKeyIETQMWSFRUPDPG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.55
Rot. Bonds7

About 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine

6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine (PubChem CID 106795461) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
PubChem CID106795461
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
SMILESC#CC(C)Oc1nc(NCC)nc(N(CC)CC)n1
InChIInChI=1S/C13H21N5O/c1-6-10(5)19-13-16-11(14-7-2)15-12(17-13)18(8-3)9-4/h1,10H,7-9H2,2-5H3,(H,14,15,16,17)
InChIKeyIETQMWSFRUPDPG-UHFFFAOYSA-N
XLogP1.55
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-(2,2-difluoroethoxy)-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 82009098
2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80764116
2-N,2-N,4-N-triethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 80861619
4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80917408
6-[2-(dimethylamino)ethoxy]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 80871971
4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80825421
2-N,2-N,6-N-triethyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80785774
N,N-diethyl-4-hydrazinyl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80922713
2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835269
2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
CID 80779235
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774045
4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 102989484

Frequently Asked Questions

What is the IUPAC name of 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine (CID 106795461) is 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine is C#CC(C)Oc1nc(NCC)nc(N(CC)CC)n1.
What is the InChIKey of 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IETQMWSFRUPDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-6-10(5)19-13-16-11(14-7-2)15-12(17-13)18(8-3)9-4/h1,10H,7-9H2,2-5H3,(H,14,15,16,17).
What are the key properties of 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 263.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106795461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).