1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone

C16H17N5O — CID 1430151

IUPAC1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone
SMILESCCc1c(C)nc2ncnn2c1Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H17N5O/c1-4-14-10(2)19-16-17-9-18-21(16)15(14)20-13-7-5-12(6-8-13)11(3)22/h5-9,20H,4H2,1-3H3
InChIKeyZBOIGYATSULAGK-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.94
Rot. Bonds4

About 1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone

1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone (PubChem CID 1430151) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone
PubChem CID1430151
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone
SMILESCCc1c(C)nc2ncnn2c1Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H17N5O/c1-4-14-10(2)19-16-17-9-18-21(16)15(14)20-13-7-5-12(6-8-13)11(3)22/h5-9,20H,4H2,1-3H3
InChIKeyZBOIGYATSULAGK-UHFFFAOYSA-N
XLogP2.94
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone (CID 1430151) is 1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone is CCc1c(C)nc2ncnn2c1Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone?
The InChIKey is ZBOIGYATSULAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-4-14-10(2)19-16-17-9-18-21(16)15(14)20-13-7-5-12(6-8-13)11(3)22/h5-9,20H,4H2,1-3H3.
What are the key properties of 1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone?
1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone has a molecular weight of 295.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone is sourced from PubChem (CID 1430151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).