N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C11H15N7O2 — CID 80877046

IUPACN-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC2CCOC2)nc(-n2cncn2)n1
InChIInChI=1S/C11H15N7O2/c1-2-13-9-15-10(18-7-12-6-14-18)17-11(16-9)20-8-3-4-19-5-8/h6-8H,2-5H2,1H3,(H,13,15,16,17)
InChIKeyHPAJEUUAZYUZCL-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.05
Rot. Bonds5

About N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80877046) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80877046
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC2CCOC2)nc(-n2cncn2)n1
InChIInChI=1S/C11H15N7O2/c1-2-13-9-15-10(18-7-12-6-14-18)17-11(16-9)20-8-3-4-19-5-8/h6-8H,2-5H2,1H3,(H,13,15,16,17)
InChIKeyHPAJEUUAZYUZCL-UHFFFAOYSA-N
XLogP0.05
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80880717
4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861941
2-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 82751417
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80860019
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80786268
N-ethyl-4-(3-methylbutoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80858159
[4-cyclohexyloxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80909888
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83025136
N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
4-N-ethyl-2-N-(thiolan-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80841679
4-N-ethyl-2-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 104767007

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80877046) is N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(OC2CCOC2)nc(-n2cncn2)n1.
What is the InChIKey of N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is HPAJEUUAZYUZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-2-13-9-15-10(18-7-12-6-14-18)17-11(16-9)20-8-3-4-19-5-8/h6-8H,2-5H2,1H3,(H,13,15,16,17).
What are the key properties of N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 277.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80877046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).