7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C6H4ClIN4 — CID 170900285

IUPAC7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(Cl)c1I
InChIInChI=1S/C6H4ClIN4/c1-3-4(8)5(7)12-6(11-3)9-2-10-12/h2H,1H3
InChIKeyPRORUGYQGJKDRF-UHFFFAOYSA-N
MW294.48 g/mol
LogP1.69
Rot. Bonds

About 7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 170900285) has the molecular formula C6H4ClIN4 and a molecular weight of 294.48 g/mol. Its IUPAC name is 7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID170900285
Molecular FormulaC6H4ClIN4
Molecular Weight294.48 g/mol
Exact Mass293.92
IUPAC Name7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(Cl)c1I
InChIInChI=1S/C6H4ClIN4/c1-3-4(8)5(7)12-6(11-3)9-2-10-12/h2H,1H3
InChIKeyPRORUGYQGJKDRF-UHFFFAOYSA-N
XLogP1.69
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 170900285) is 7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(Cl)c1I.
What is the InChIKey of 7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PRORUGYQGJKDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClIN4/c1-3-4(8)5(7)12-6(11-3)9-2-10-12/h2H,1H3.
What are the key properties of 7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 294.48 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170900285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).