3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane

C7H10IN5 — CID 19610924

IUPAC3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESIc1nnn(C2CN3CCC2C3)n1
InChIInChI=1S/C7H10IN5/c8-7-9-11-13(10-7)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2
InChIKeyUOVCMCINXGEEJP-UHFFFAOYSA-N
MW291.10 g/mol
LogP0.15
Rot. Bonds1

About 3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane

3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 19610924) has the molecular formula C7H10IN5 and a molecular weight of 291.10 g/mol. Its IUPAC name is 3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID19610924
Molecular FormulaC7H10IN5
Molecular Weight291.10 g/mol
Exact Mass291.00
IUPAC Name3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESIc1nnn(C2CN3CCC2C3)n1
InChIInChI=1S/C7H10IN5/c8-7-9-11-13(10-7)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2
InChIKeyUOVCMCINXGEEJP-UHFFFAOYSA-N
XLogP0.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 50.15
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

(3R,4R)-3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
CID 58732567
3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.2]octane
CID 15669977
3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
CID 19610961
3-(tetrazol-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
CID 19610931
[2-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]pyrazol-3-yl]methanamine
CID 115019182
3-(4-methyltriazol-2-yl)-1-azabicyclo[2.2.2]octane;hydrochloride
CID 19610889
(4S)-3-(4-ethylpyrazol-1-yl)-1-azabicyclo[2.2.1]heptane
CID 84663558
2-(1-azabicyclo[3.2.1]octan-3-yl)tetrazol-5-amine;hydrochloride
CID 19610897
3-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 15669971
3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane
CID 139800110
1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride
CID 105429240
3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19784182

Frequently Asked Questions

What is the IUPAC name of 3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane (CID 19610924) is 3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane is Ic1nnn(C2CN3CCC2C3)n1.
What is the InChIKey of 3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is UOVCMCINXGEEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN5/c8-7-9-11-13(10-7)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2.
What are the key properties of 3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane?
3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 291.10 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodotetrazol-2-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 19610924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).