4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine

C13H10ClN5 — CID 152539675

IUPAC4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine
SMILESCc1cncnc1-c1cc(Cl)ccc1-n1ccnn1
InChIInChI=1S/C13H10ClN5/c1-9-7-15-8-16-13(9)11-6-10(14)2-3-12(11)19-5-4-17-18-19/h2-8H,1H3
InChIKeyYLGXYFQISCYZMT-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.69
Rot. Bonds2

About 4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine

4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine (PubChem CID 152539675) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine
PubChem CID152539675
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine
SMILESCc1cncnc1-c1cc(Cl)ccc1-n1ccnn1
InChIInChI=1S/C13H10ClN5/c1-9-7-15-8-16-13(9)11-6-10(14)2-3-12(11)19-5-4-17-18-19/h2-8H,1H3
InChIKeyYLGXYFQISCYZMT-UHFFFAOYSA-N
XLogP2.69
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine?
The IUPAC name of 4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine (CID 152539675) is 4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine.
What is the SMILES notation for 4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine?
The canonical SMILES for 4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine is Cc1cncnc1-c1cc(Cl)ccc1-n1ccnn1.
What is the InChIKey of 4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine?
The InChIKey is YLGXYFQISCYZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c1-9-7-15-8-16-13(9)11-6-10(14)2-3-12(11)19-5-4-17-18-19/h2-8H,1H3.
What are the key properties of 4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine?
4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine has a molecular weight of 271.71 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(triazol-1-yl)phenyl]-5-methylpyrimidine is sourced from PubChem (CID 152539675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).