3-iodo-1-methyl-5-(tetrazol-2-yl)indole

C10H8IN5 — CID 137376129

IUPAC3-iodo-1-methyl-5-(tetrazol-2-yl)indole
SMILESCn1cc(I)c2cc(-n3ncnn3)ccc21
InChIInChI=1S/C10H8IN5/c1-15-5-9(11)8-4-7(2-3-10(8)15)16-13-6-12-14-16/h2-6H,1H3
InChIKeyAGNCAAUHYUXHJO-UHFFFAOYSA-N
MW325.11 g/mol
LogP1.76
Rot. Bonds1

About 3-iodo-1-methyl-5-(tetrazol-2-yl)indole

3-iodo-1-methyl-5-(tetrazol-2-yl)indole (PubChem CID 137376129) has the molecular formula C10H8IN5 and a molecular weight of 325.11 g/mol. Its IUPAC name is 3-iodo-1-methyl-5-(tetrazol-2-yl)indole.

Molecular Properties

Compound Name3-iodo-1-methyl-5-(tetrazol-2-yl)indole
PubChem CID137376129
Molecular FormulaC10H8IN5
Molecular Weight325.11 g/mol
Exact Mass324.98
IUPAC Name3-iodo-1-methyl-5-(tetrazol-2-yl)indole
SMILESCn1cc(I)c2cc(-n3ncnn3)ccc21
InChIInChI=1S/C10H8IN5/c1-15-5-9(11)8-4-7(2-3-10(8)15)16-13-6-12-14-16/h2-6H,1H3
InChIKeyAGNCAAUHYUXHJO-UHFFFAOYSA-N
XLogP1.76
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 51.76
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 3-iodo-1-methyl-5-(tetrazol-2-yl)indole?
The IUPAC name of 3-iodo-1-methyl-5-(tetrazol-2-yl)indole (CID 137376129) is 3-iodo-1-methyl-5-(tetrazol-2-yl)indole.
What is the SMILES notation for 3-iodo-1-methyl-5-(tetrazol-2-yl)indole?
The canonical SMILES for 3-iodo-1-methyl-5-(tetrazol-2-yl)indole is Cn1cc(I)c2cc(-n3ncnn3)ccc21.
What is the InChIKey of 3-iodo-1-methyl-5-(tetrazol-2-yl)indole?
The InChIKey is AGNCAAUHYUXHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN5/c1-15-5-9(11)8-4-7(2-3-10(8)15)16-13-6-12-14-16/h2-6H,1H3.
What are the key properties of 3-iodo-1-methyl-5-(tetrazol-2-yl)indole?
3-iodo-1-methyl-5-(tetrazol-2-yl)indole has a molecular weight of 325.11 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methyl-5-(tetrazol-2-yl)indole is sourced from PubChem (CID 137376129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).