N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H23N5O — CID 82765048

IUPACN-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC1(CC)CC(Nc2cc(C)nc3ncnn23)CCO1
InChIInChI=1S/C15H23N5O/c1-4-15(5-2)9-12(6-7-21-15)19-13-8-11(3)18-14-16-10-17-20(13)14/h8,10,12,19H,4-7,9H2,1-3H3
InChIKeyUMDHNIBLHCWWRL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.58
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 82765048) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID82765048
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC1(CC)CC(Nc2cc(C)nc3ncnn23)CCO1
InChIInChI=1S/C15H23N5O/c1-4-15(5-2)9-12(6-7-21-15)19-13-8-11(3)18-14-16-10-17-20(13)14/h8,10,12,19H,4-7,9H2,1-3H3
InChIKeyUMDHNIBLHCWWRL-UHFFFAOYSA-N
XLogP2.58
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 82765044
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 113346594
1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 146133919
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133358064
5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 91956607
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271
5-methyl-N-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106995974
N-(2,2-diethyloxan-4-yl)-2-methylpyrimidin-4-amine
CID 82760302
N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79840007
N-(1-cyclohexylpiperidin-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133296233
N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347247

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 82765048) is N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCC1(CC)CC(Nc2cc(C)nc3ncnn23)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UMDHNIBLHCWWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-15(5-2)9-12(6-7-21-15)19-13-8-11(3)18-14-16-10-17-20(13)14/h8,10,12,19H,4-7,9H2,1-3H3.
What are the key properties of N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 289.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 82765048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).