7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine

C11H7ClN4 — CID 43144460

IUPAC7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(-c3ccccc3)n2cn1
InChIInChI=1S/C11H7ClN4/c12-9-6-10-14-15-11(16(10)7-13-9)8-4-2-1-3-5-8/h1-7H
InChIKeyIIPKMOYEGNSODC-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.44
Rot. Bonds1

About 7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43144460) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43144460
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(-c3ccccc3)n2cn1
InChIInChI=1S/C11H7ClN4/c12-9-6-10-14-15-11(16(10)7-13-9)8-4-2-1-3-5-8/h1-7H
InChIKeyIIPKMOYEGNSODC-UHFFFAOYSA-N
XLogP2.44
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43144460) is 7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1cc2nnc(-c3ccccc3)n2cn1.
What is the InChIKey of 7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is IIPKMOYEGNSODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-9-6-10-14-15-11(16(10)7-13-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 230.66 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43144460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).