2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H10IN5 — CID 118176464

IUPAC2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESIc1ccnc(-c2nc3ncc(-c4ccccc4)cn3n2)c1
InChIInChI=1S/C16H10IN5/c17-13-6-7-18-14(8-13)15-20-16-19-9-12(10-22(16)21-15)11-4-2-1-3-5-11/h1-10H
InChIKeyVHGWPLAPBLNLNP-UHFFFAOYSA-N
MW399.20 g/mol
LogP3.46
Rot. Bonds2

About 2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 118176464) has the molecular formula C16H10IN5 and a molecular weight of 399.20 g/mol. Its IUPAC name is 2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID118176464
Molecular FormulaC16H10IN5
Molecular Weight399.20 g/mol
Exact Mass399.00
IUPAC Name2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESIc1ccnc(-c2nc3ncc(-c4ccccc4)cn3n2)c1
InChIInChI=1S/C16H10IN5/c17-13-6-7-18-14(8-13)15-20-16-19-9-12(10-22(16)21-15)11-4-2-1-3-5-11/h1-10H
InChIKeyVHGWPLAPBLNLNP-UHFFFAOYSA-N
XLogP3.46
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 118176464) is 2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is Ic1ccnc(-c2nc3ncc(-c4ccccc4)cn3n2)c1.
What is the InChIKey of 2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VHGWPLAPBLNLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10IN5/c17-13-6-7-18-14(8-13)15-20-16-19-9-12(10-22(16)21-15)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 399.20 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118176464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).