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

C14H15N5O — CID 102902975

IUPAC2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline
SMILESCc1cc(OCCc2ccccc2N)n2ncnc2n1
InChIInChI=1S/C14H15N5O/c1-10-8-13(19-14(18-10)16-9-17-19)20-7-6-11-4-2-3-5-12(11)15/h2-5,8-9H,6-7,15H2,1H3
InChIKeyLMTBPJQEUHZBAR-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.64
Rot. Bonds4

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

2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline (PubChem CID 102902975) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline
PubChem CID102902975
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline
SMILESCc1cc(OCCc2ccccc2N)n2ncnc2n1
InChIInChI=1S/C14H15N5O/c1-10-8-13(19-14(18-10)16-9-17-19)20-7-6-11-4-2-3-5-12(11)15/h2-5,8-9H,6-7,15H2,1H3
InChIKeyLMTBPJQEUHZBAR-UHFFFAOYSA-N
XLogP1.64
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]aniline
CID 107718000
2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine
CID 64571504
[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine
CID 114323804
N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63760131
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 62347901
N-[(2-bromophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61401875
N,5-dimethyl-N-[2-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18095938
2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62497445
2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 107273700
2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline
CID 102902817
N-[(2-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191340

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline?
The IUPAC name of 2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline (CID 102902975) is 2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline.
What is the SMILES notation for 2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline?
The canonical SMILES for 2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline is Cc1cc(OCCc2ccccc2N)n2ncnc2n1.
What is the InChIKey of 2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline?
The InChIKey is LMTBPJQEUHZBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-8-13(19-14(18-10)16-9-17-19)20-7-6-11-4-2-3-5-12(11)15/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline?
2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline has a molecular weight of 269.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline is sourced from PubChem (CID 102902975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).