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

C13H12ClN5 — CID 22433997

IUPACN-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(Nc2cccc(Cl)c2)n2ncnc2n1
InChIInChI=1S/C13H12ClN5/c1-2-10-7-12(19-13(18-10)15-8-16-19)17-11-5-3-4-9(14)6-11/h3-8,17H,2H2,1H3
InChIKeyISVWKFORMQUFBD-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.08
Rot. Bonds3

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

N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22433997) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22433997
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC NameN-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(Nc2cccc(Cl)c2)n2ncnc2n1
InChIInChI=1S/C13H12ClN5/c1-2-10-7-12(19-13(18-10)15-8-16-19)17-11-5-3-4-9(14)6-11/h3-8,17H,2H2,1H3
InChIKeyISVWKFORMQUFBD-UHFFFAOYSA-N
XLogP3.08
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[1-(2-chlorophenyl)pyrazol-4-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133292386
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133271384
5-chloro-N-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918268
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
5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide
CID 133406988
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
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-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
3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine
CID 133295708

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22433997) is N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(Nc2cccc(Cl)c2)n2ncnc2n1.
What is the InChIKey of N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ISVWKFORMQUFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-2-10-7-12(19-13(18-10)15-8-16-19)17-11-5-3-4-9(14)6-11/h3-8,17H,2H2,1H3.
What are the key properties of N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 273.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22433997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).