2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid

C11H15N5O2 — CID 79798440

IUPAC2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid
SMILESCCC(C)(Nc1cc(C)nc2ncnn12)C(=O)O
InChIInChI=1S/C11H15N5O2/c1-4-11(3,9(17)18)15-8-5-7(2)14-10-12-6-13-16(8)10/h5-6,15H,4H2,1-3H3,(H,17,18)
InChIKeyJPWPOSMCECLKEU-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.10
Rot. Bonds4

About 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid

2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid (PubChem CID 79798440) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid
PubChem CID79798440
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid
SMILESCCC(C)(Nc1cc(C)nc2ncnn12)C(=O)O
InChIInChI=1S/C11H15N5O2/c1-4-11(3,9(17)18)15-8-5-7(2)14-10-12-6-13-16(8)10/h5-6,15H,4H2,1-3H3,(H,17,18)
InChIKeyJPWPOSMCECLKEU-UHFFFAOYSA-N
XLogP1.10
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid
CID 79806406
methyl 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
CID 62004554
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-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid
CID 81161249
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144
N,N-diethyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 60926639
4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid
CID 82683204
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
CID 60658927
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid (CID 79798440) is 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid is CCC(C)(Nc1cc(C)nc2ncnn12)C(=O)O.
What is the InChIKey of 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid?
The InChIKey is JPWPOSMCECLKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-11(3,9(17)18)15-8-5-7(2)14-10-12-6-13-16(8)10/h5-6,15H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid?
2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid is sourced from PubChem (CID 79798440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).