2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole

C7H9IN6 — CID 90020608

IUPAC2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole
SMILESCCn1nnc(-c2cnn(C)c2I)n1
InChIInChI=1S/C7H9IN6/c1-3-14-11-7(10-12-14)5-4-9-13(2)6(5)8/h4H,3H2,1-2H3
InChIKeyDRKFBQOPHGTPRE-UHFFFAOYSA-N
MW304.10 g/mol
LogP0.70
Rot. Bonds2

About 2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole

2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole (PubChem CID 90020608) has the molecular formula C7H9IN6 and a molecular weight of 304.10 g/mol. Its IUPAC name is 2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole
PubChem CID90020608
Molecular FormulaC7H9IN6
Molecular Weight304.10 g/mol
Exact Mass303.99
IUPAC Name2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole
SMILESCCn1nnc(-c2cnn(C)c2I)n1
InChIInChI=1S/C7H9IN6/c1-3-14-11-7(10-12-14)5-4-9-13(2)6(5)8/h4H,3H2,1-2H3
InChIKeyDRKFBQOPHGTPRE-UHFFFAOYSA-N
XLogP0.70
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole?
The IUPAC name of 2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole (CID 90020608) is 2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole.
What is the SMILES notation for 2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole?
The canonical SMILES for 2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole is CCn1nnc(-c2cnn(C)c2I)n1.
What is the InChIKey of 2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole?
The InChIKey is DRKFBQOPHGTPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN6/c1-3-14-11-7(10-12-14)5-4-9-13(2)6(5)8/h4H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole?
2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole has a molecular weight of 304.10 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(5-iodo-1-methylpyrazol-4-yl)tetrazole is sourced from PubChem (CID 90020608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).