5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H14N6O — CID 103946696

IUPAC5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2ncc(C)o2)n2ncnc2n1
InChIInChI=1S/C12H14N6O/c1-7-4-10(18-12(16-7)14-6-15-18)17-9(3)11-13-5-8(2)19-11/h4-6,9,17H,1-3H3
InChIKeyHFBIFOJBQFBRAY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.90
Rot. Bonds3

About 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103946696) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103946696
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2ncc(C)o2)n2ncnc2n1
InChIInChI=1S/C12H14N6O/c1-7-4-10(18-12(16-7)14-6-15-18)17-9(3)11-13-5-8(2)19-11/h4-6,9,17H,1-3H3
InChIKeyHFBIFOJBQFBRAY-UHFFFAOYSA-N
XLogP1.90
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144
5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63091597
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
CID 60658927
N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133305067
5-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 134611496
N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32678340
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61221327
N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99801280
ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
CID 133407087
N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95330216

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103946696) is 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)c2ncc(C)o2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HFBIFOJBQFBRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-7-4-10(18-12(16-7)14-6-15-18)17-9(3)11-13-5-8(2)19-11/h4-6,9,17H,1-3H3.
What are the key properties of 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 258.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103946696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).