3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide

C16H24N6O — CID 99626638

IUPAC3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide
SMILESCc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)C1CCC1
InChIInChI=1S/C16H24N6O/c1-9(12-5-4-6-12)18-14(23)8-7-13-10(2)19-16-20-15(17)21-22(16)11(13)3/h9,12H,4-8H2,1-3H3,(H2,17,21)(H,18,23)/t9-/m0/s1
InChIKeyUSQFNUBFNJDLHJ-VIFPVBQESA-N
MW316.41 g/mol
LogP1.56
Rot. Bonds5

About 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide

3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide (PubChem CID 99626638) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide
PubChem CID99626638
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide
SMILESCc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)C1CCC1
InChIInChI=1S/C16H24N6O/c1-9(12-5-4-6-12)18-14(23)8-7-13-10(2)19-16-20-15(17)21-22(16)11(13)3/h9,12H,4-8H2,1-3H3,(H2,17,21)(H,18,23)/t9-/m0/s1
InChIKeyUSQFNUBFNJDLHJ-VIFPVBQESA-N
XLogP1.56
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7734632
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7734652
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylbutyl)propanamide
CID 17476138
N-cyclopentyl-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 17445392
(1-amino-1-oxopropan-2-yl) 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 167807924
N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863538
N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 18145140
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35233068
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8824227
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutan-2-yl)propanamide
CID 51265365
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide?
The IUPAC name of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide (CID 99626638) is 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide.
What is the SMILES notation for 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide?
The canonical SMILES for 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide is Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)C1CCC1.
What is the InChIKey of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide?
The InChIKey is USQFNUBFNJDLHJ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H24N6O/c1-9(12-5-4-6-12)18-14(23)8-7-13-10(2)19-16-20-15(17)21-22(16)11(13)3/h9,12H,4-8H2,1-3H3,(H2,17,21)(H,18,23)/t9-/m0/s1.
What are the key properties of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide?
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide has a molecular weight of 316.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide is sourced from PubChem (CID 99626638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).