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

C11H17N5O — CID 64571504

IUPAC2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine
SMILESCCC(C)(N)COc1cc(C)nc2ncnn12
InChIInChI=1S/C11H17N5O/c1-4-11(3,12)6-17-9-5-8(2)15-10-13-7-14-16(9)10/h5,7H,4,6,12H2,1-3H3
InChIKeyOWKPEARRSZIDJV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.94
Rot. Bonds4

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

2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine (PubChem CID 64571504) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine
PubChem CID64571504
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine
SMILESCCC(C)(N)COc1cc(C)nc2ncnn12
InChIInChI=1S/C11H17N5O/c1-4-11(3,12)6-17-9-5-8(2)15-10-13-7-14-16(9)10/h5,7H,4,6,12H2,1-3H3
InChIKeyOWKPEARRSZIDJV-UHFFFAOYSA-N
XLogP0.94
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline
CID 102902975
2-methyl-1-(6-methylpyrimidin-4-yl)oxybutan-2-amine
CID 64571505
5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 62347901
2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol
CID 103844405
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672
[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine
CID 114323804
2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid
CID 79798440
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexyl]methanol
CID 106825812
3-chloro-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]aniline
CID 107718000
7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18100702
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine
CID 63196488
N-ethyl-3,3-dimethyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butan-2-amine
CID 63198104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine?
The IUPAC name of 2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine (CID 64571504) is 2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine.
What is the SMILES notation for 2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine?
The canonical SMILES for 2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine is CCC(C)(N)COc1cc(C)nc2ncnn12.
What is the InChIKey of 2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine?
The InChIKey is OWKPEARRSZIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-11(3,12)6-17-9-5-8(2)15-10-13-7-14-16(9)10/h5,7H,4,6,12H2,1-3H3.
What are the key properties of 2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine?
2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine has a molecular weight of 235.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine is sourced from PubChem (CID 64571504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).