5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine

C11H8ClN5 — CID 167327358

IUPAC5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine
SMILESClc1ncc(Nc2ccccc2)c2nncn12
InChIInChI=1S/C11H8ClN5/c12-11-13-6-9(10-16-14-7-17(10)11)15-8-4-2-1-3-5-8/h1-7,15H
InChIKeyBFSRQRRVUUVTBD-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.52
Rot. Bonds2

About 5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine

5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine (PubChem CID 167327358) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine.

Molecular Properties

Compound Name5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine
PubChem CID167327358
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine
SMILESClc1ncc(Nc2ccccc2)c2nncn12
InChIInChI=1S/C11H8ClN5/c12-11-13-6-9(10-16-14-7-17(10)11)15-8-4-2-1-3-5-8/h1-7,15H
InChIKeyBFSRQRRVUUVTBD-UHFFFAOYSA-N
XLogP2.52
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine?
The IUPAC name of 5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine (CID 167327358) is 5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine.
What is the SMILES notation for 5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine?
The canonical SMILES for 5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine is Clc1ncc(Nc2ccccc2)c2nncn12.
What is the InChIKey of 5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine?
The InChIKey is BFSRQRRVUUVTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-11-13-6-9(10-16-14-7-17(10)11)15-8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of 5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine?
5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine has a molecular weight of 245.67 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine is sourced from PubChem (CID 167327358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).