7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C11H6ClIN4 — CID 43144463

IUPAC7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(-c3cccc(I)c3)n2cn1
InChIInChI=1S/C11H6ClIN4/c12-9-5-10-15-16-11(17(10)6-14-9)7-2-1-3-8(13)4-7/h1-6H
InChIKeySNVAYKLLQBNSIM-UHFFFAOYSA-N
MW356.55 g/mol
LogP3.05
Rot. Bonds1

About 7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43144463) has the molecular formula C11H6ClIN4 and a molecular weight of 356.55 g/mol. Its IUPAC name is 7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43144463
Molecular FormulaC11H6ClIN4
Molecular Weight356.55 g/mol
Exact Mass355.93
IUPAC Name7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(-c3cccc(I)c3)n2cn1
InChIInChI=1S/C11H6ClIN4/c12-9-5-10-15-16-11(17(10)6-14-9)7-2-1-3-8(13)4-7/h1-6H
InChIKeySNVAYKLLQBNSIM-UHFFFAOYSA-N
XLogP3.05
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N,N-dimethylaniline
CID 43329194
7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144489
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
4-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)benzonitrile
CID 43144435
3-(1,3-benzodioxol-5-yl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327078
7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327109
7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327135
3-(7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 82167018
7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144429
7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327138
5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
CID 104615353
7-chloro-3-(2,4-difluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 113396511

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43144463) is 7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1cc2nnc(-c3cccc(I)c3)n2cn1.
What is the InChIKey of 7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is SNVAYKLLQBNSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClIN4/c12-9-5-10-15-16-11(17(10)6-14-9)7-2-1-3-8(13)4-7/h1-6H.
What are the key properties of 7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 356.55 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43144463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).