5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine

C6H4IN5 — CID 116649073

IUPAC5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine
SMILESIc1cnc(-n2cncn2)nc1
InChIInChI=1S/C6H4IN5/c7-5-1-9-6(10-2-5)12-4-8-3-11-12/h1-4H
InChIKeyVMFDINJNGDRTKI-UHFFFAOYSA-N
MW273.04 g/mol
LogP0.66
Rot. Bonds1

About 5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine

5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine (PubChem CID 116649073) has the molecular formula C6H4IN5 and a molecular weight of 273.04 g/mol. Its IUPAC name is 5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine
PubChem CID116649073
Molecular FormulaC6H4IN5
Molecular Weight273.04 g/mol
Exact Mass272.95
IUPAC Name5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine
SMILESIc1cnc(-n2cncn2)nc1
InChIInChI=1S/C6H4IN5/c7-5-1-9-6(10-2-5)12-4-8-3-11-12/h1-4H
InChIKeyVMFDINJNGDRTKI-UHFFFAOYSA-N
XLogP0.66
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine
CID 58333445
5-(1,2,4-triazol-1-yl)-1,3-thiazole
CID 141401341
2-chloro-5-(1,2,4-triazol-1-yl)pyrazine
CID 77231195
5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
CID 58458813
2,4-dioxido-6-(1,2,4-triazol-1-yl)-1,2,4,5-tetrazine-2,4-diium-3-amine
CID 136711092
4-(4-iodophenoxy)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80875114
3-iodo-4-(1,2,4-triazol-1-yl)aniline
CID 66094610
4-(4-bromopyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853993
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
5-(1,2,4-triazol-1-yl)pyridin-3-ol
CID 163282109
N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 80854317
[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methanamine
CID 16773256

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of 5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine (CID 116649073) is 5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for 5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for 5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine is Ic1cnc(-n2cncn2)nc1.
What is the InChIKey of 5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is VMFDINJNGDRTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN5/c7-5-1-9-6(10-2-5)12-4-8-3-11-12/h1-4H.
What are the key properties of 5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine?
5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine has a molecular weight of 273.04 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 116649073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).