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

C14H14ClN5O — CID 22433978

IUPACN-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(Nc2cc(Cl)ccc2OC)n2ncnc2n1
InChIInChI=1S/C14H14ClN5O/c1-3-10-7-13(20-14(18-10)16-8-17-20)19-11-6-9(15)4-5-12(11)21-2/h4-8,19H,3H2,1-2H3
InChIKeyJNITYVFSDXUEKJ-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.09
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22433978) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22433978
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(Nc2cc(Cl)ccc2OC)n2ncnc2n1
InChIInChI=1S/C14H14ClN5O/c1-3-10-7-13(20-14(18-10)16-8-17-20)19-11-6-9(15)4-5-12(11)21-2/h4-8,19H,3H2,1-2H3
InChIKeyJNITYVFSDXUEKJ-UHFFFAOYSA-N
XLogP3.09
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433997
5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918288
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133271384
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133292386
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227278
5-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133275891
1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
CID 133338490
2-ethyl-N-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 133377188
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133295553
5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107637055
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80762755

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22433978) is N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(Nc2cc(Cl)ccc2OC)n2ncnc2n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JNITYVFSDXUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-3-10-7-13(20-14(18-10)16-8-17-20)19-11-6-9(15)4-5-12(11)21-2/h4-8,19H,3H2,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 303.75 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22433978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).