propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate

C14H21N5O2 — CID 133325494

IUPACpropan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1cc(NCC(C)C(=O)OC(C)C)n2ncnc2n1
InChIInChI=1S/C14H21N5O2/c1-5-11-6-12(19-14(18-11)16-8-17-19)15-7-10(4)13(20)21-9(2)3/h6,8-10,15H,5,7H2,1-4H3
InChIKeyPQWFDYBKWJIFSM-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.69
Rot. Bonds6

About propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate

propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate (PubChem CID 133325494) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate
PubChem CID133325494
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Namepropan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1cc(NCC(C)C(=O)OC(C)C)n2ncnc2n1
InChIInChI=1S/C14H21N5O2/c1-5-11-6-12(19-14(18-11)16-8-17-19)15-7-10(4)13(20)21-9(2)3/h6,8-10,15H,5,7H2,1-4H3
InChIKeyPQWFDYBKWJIFSM-UHFFFAOYSA-N
XLogP1.69
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide
CID 97252623
ethyl (2R,3S)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutanoate
CID 99798308
ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133363441
5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133289522
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 56815508
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide
CID 133287938
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154743615
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
5-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133275891
2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide
CID 133421515

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The IUPAC name of propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate (CID 133325494) is propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The canonical SMILES for propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate is CCc1cc(NCC(C)C(=O)OC(C)C)n2ncnc2n1.
What is the InChIKey of propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The InChIKey is PQWFDYBKWJIFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-5-11-6-12(19-14(18-11)16-8-17-19)15-7-10(4)13(20)21-9(2)3/h6,8-10,15H,5,7H2,1-4H3.
What are the key properties of propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate has a molecular weight of 291.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 133325494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).