1-(4-iodophenyl)-5-propyltetrazole

C10H11IN4 — CID 62081335

IUPAC1-(4-iodophenyl)-5-propyltetrazole
SMILESCCCc1nnnn1-c1ccc(I)cc1
InChIInChI=1S/C10H11IN4/c1-2-3-10-12-13-14-15(10)9-6-4-8(11)5-7-9/h4-7H,2-3H2,1H3
InChIKeyNTZXYAOJFOYVKL-UHFFFAOYSA-N
MW314.13 g/mol
LogP2.22
Rot. Bonds3

About 1-(4-iodophenyl)-5-propyltetrazole

1-(4-iodophenyl)-5-propyltetrazole (PubChem CID 62081335) has the molecular formula C10H11IN4 and a molecular weight of 314.13 g/mol. Its IUPAC name is 1-(4-iodophenyl)-5-propyltetrazole.

Molecular Properties

Compound Name1-(4-iodophenyl)-5-propyltetrazole
PubChem CID62081335
Molecular FormulaC10H11IN4
Molecular Weight314.13 g/mol
Exact Mass314.00
IUPAC Name1-(4-iodophenyl)-5-propyltetrazole
SMILESCCCc1nnnn1-c1ccc(I)cc1
InChIInChI=1S/C10H11IN4/c1-2-3-10-12-13-14-15(10)9-6-4-8(11)5-7-9/h4-7H,2-3H2,1H3
InChIKeyNTZXYAOJFOYVKL-UHFFFAOYSA-N
XLogP2.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737573
5-butyl-1-phenyltetrazole
CID 69031432
2-bromo-5-(5-propyltetrazol-1-yl)aniline
CID 79768330
N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 55109241
2-methyl-4-(5-propyltetrazol-1-yl)benzoic acid
CID 62083269
4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]-N-ethylaniline
CID 139677792
1-(1-phenyltetrazol-5-yl)hexan-3-ol
CID 79422541
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
ethyl 4-[5-(2-aminoethyl)tetrazol-1-yl]benzoate
CID 82227969
1-(4-bromo-2-methylphenyl)-5-propyltetrazole
CID 62083280

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-5-propyltetrazole?
The IUPAC name of 1-(4-iodophenyl)-5-propyltetrazole (CID 62081335) is 1-(4-iodophenyl)-5-propyltetrazole.
What is the SMILES notation for 1-(4-iodophenyl)-5-propyltetrazole?
The canonical SMILES for 1-(4-iodophenyl)-5-propyltetrazole is CCCc1nnnn1-c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-5-propyltetrazole?
The InChIKey is NTZXYAOJFOYVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4/c1-2-3-10-12-13-14-15(10)9-6-4-8(11)5-7-9/h4-7H,2-3H2,1H3.
What are the key properties of 1-(4-iodophenyl)-5-propyltetrazole?
1-(4-iodophenyl)-5-propyltetrazole has a molecular weight of 314.13 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-5-propyltetrazole is sourced from PubChem (CID 62081335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).