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

C11H5ClF3N5 — CID 102918776

IUPAC5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cc(Nc2cc(Cl)nc3ncnn23)cc(F)c1F
InChIInChI=1S/C11H5ClF3N5/c12-8-3-9(20-11(19-8)16-4-17-20)18-5-1-6(13)10(15)7(14)2-5/h1-4,18H
InChIKeyVLTOOCYXMCHMFF-UHFFFAOYSA-N
MW299.64 g/mol
LogP2.94
Rot. Bonds2

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

5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918776) has the molecular formula C11H5ClF3N5 and a molecular weight of 299.64 g/mol. Its IUPAC name is 5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918776
Molecular FormulaC11H5ClF3N5
Molecular Weight299.64 g/mol
Exact Mass299.02
IUPAC Name5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cc(Nc2cc(Cl)nc3ncnn23)cc(F)c1F
InChIInChI=1S/C11H5ClF3N5/c12-8-3-9(20-11(19-8)16-4-17-20)18-5-1-6(13)10(15)7(14)2-5/h1-4,18H
InChIKeyVLTOOCYXMCHMFF-UHFFFAOYSA-N
XLogP2.94
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.64
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918268
2-[4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]acetonitrile
CID 102918740
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-benzothiazol-6-amine
CID 107800243
5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107637055
ethyl 4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 59014091
N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918270
5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918288
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192366
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106194022

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918776) is 5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Fc1cc(Nc2cc(Cl)nc3ncnn23)cc(F)c1F.
What is the InChIKey of 5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VLTOOCYXMCHMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N5/c12-8-3-9(20-11(19-8)16-4-17-20)18-5-1-6(13)10(15)7(14)2-5/h1-4,18H.
What are the key properties of 5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.64 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).