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

C12H17N5O — CID 113346594

IUPAC5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCOC(C)C2)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-8-5-11(17-12(15-8)13-7-14-17)16-10-3-4-18-9(2)6-10/h5,7,9-10,16H,3-4,6H2,1-2H3
InChIKeyUWRPUUHHGKNDOZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.41
Rot. Bonds2

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

5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 113346594) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID113346594
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCOC(C)C2)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-8-5-11(17-12(15-8)13-7-14-17)16-10-3-4-18-9(2)6-10/h5,7,9-10,16H,3-4,6H2,1-2H3
InChIKeyUWRPUUHHGKNDOZ-UHFFFAOYSA-N
XLogP1.41
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
5-methyl-N-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106995974
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271
N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 82765048
1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 146133919
2,6-dimethyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
CID 103889229
N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347247
N-(1-cyclohexylpiperidin-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133296233
5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 91956607
N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79840007
5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56777998
5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133474303

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 113346594) is 5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCOC(C)C2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UWRPUUHHGKNDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-5-11(17-12(15-8)13-7-14-17)16-10-3-4-18-9(2)6-10/h5,7,9-10,16H,3-4,6H2,1-2H3.
What are the key properties of 5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 247.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 113346594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).