3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine

C5H3IN4 — CID 134334464

IUPAC3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESIc1nnc2ccncn12
InChIInChI=1S/C5H3IN4/c6-5-9-8-4-1-2-7-3-10(4)5/h1-3H
InChIKeyZQNYZZGHICADCU-UHFFFAOYSA-N
MW246.01 g/mol
LogP0.73
Rot. Bonds

About 3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine

3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 134334464) has the molecular formula C5H3IN4 and a molecular weight of 246.01 g/mol. Its IUPAC name is 3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID134334464
Molecular FormulaC5H3IN4
Molecular Weight246.01 g/mol
Exact Mass245.94
IUPAC Name3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESIc1nnc2ccncn12
InChIInChI=1S/C5H3IN4/c6-5-9-8-4-1-2-7-3-10(4)5/h1-3H
InChIKeyZQNYZZGHICADCU-UHFFFAOYSA-N
XLogP0.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.01
LogP ≤ 50.73
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

2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
CID 79818137
4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,2,5-oxadiazol-3-amine
CID 79817903
N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
CID 130965197
1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine
CID 79845154
3-fluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79817899
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
CID 83382808
4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine
CID 79817368
1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine
CID 79816818
2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine
CID 79817570
5-fluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79818016
2,4-difluoro-5-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79816625
[1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine
CID 113310873

Frequently Asked Questions

What is the IUPAC name of 3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine (CID 134334464) is 3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine is Ic1nnc2ccncn12.
What is the InChIKey of 3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is ZQNYZZGHICADCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN4/c6-5-9-8-4-1-2-7-3-10(4)5/h1-3H.
What are the key properties of 3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine?
3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 246.01 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 134334464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).