N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H18ClN5O2 — CID 133271384

IUPACN-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(Nc2ccc(OCCOC)c(Cl)c2)n2ncnc2n1
InChIInChI=1S/C16H18ClN5O2/c1-3-11-9-15(22-16(21-11)18-10-19-22)20-12-4-5-14(13(17)8-12)24-7-6-23-2/h4-5,8-10,20H,3,6-7H2,1-2H3
InChIKeyJEOQVXTWXVLABG-UHFFFAOYSA-N
MW347.81 g/mol
LogP3.11
Rot. Bonds7

About N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133271384) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133271384
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(Nc2ccc(OCCOC)c(Cl)c2)n2ncnc2n1
InChIInChI=1S/C16H18ClN5O2/c1-3-11-9-15(22-16(21-11)18-10-19-22)20-12-4-5-14(13(17)8-12)24-7-6-23-2/h4-5,8-10,20H,3,6-7H2,1-2H3
InChIKeyJEOQVXTWXVLABG-UHFFFAOYSA-N
XLogP3.11
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433978
N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433997
2-[4-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 133323129
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133292386
5-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133275891
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methoxypropan-2-ol
CID 102918881
N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide
CID 133287938
propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 133325494
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
N-[1-(2,3-dichlorophenyl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133307818

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133271384) is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(Nc2ccc(OCCOC)c(Cl)c2)n2ncnc2n1.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JEOQVXTWXVLABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-3-11-9-15(22-16(21-11)18-10-19-22)20-12-4-5-14(13(17)8-12)24-7-6-23-2/h4-5,8-10,20H,3,6-7H2,1-2H3.
What are the key properties of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 347.81 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133271384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).