1-(2-chloro-5-iodophenyl)triazol-4-amine

C8H6ClIN4 — CID 130499667

IUPAC1-(2-chloro-5-iodophenyl)triazol-4-amine
SMILESNc1cn(-c2cc(I)ccc2Cl)nn1
InChIInChI=1S/C8H6ClIN4/c9-6-2-1-5(10)3-7(6)14-4-8(11)12-13-14/h1-4H,11H2
InChIKeyNDOWYWXALKQWHV-UHFFFAOYSA-N
MW320.52 g/mol
LogP2.11
Rot. Bonds1

About 1-(2-chloro-5-iodophenyl)triazol-4-amine

1-(2-chloro-5-iodophenyl)triazol-4-amine (PubChem CID 130499667) has the molecular formula C8H6ClIN4 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-(2-chloro-5-iodophenyl)triazol-4-amine.

Molecular Properties

Compound Name1-(2-chloro-5-iodophenyl)triazol-4-amine
PubChem CID130499667
Molecular FormulaC8H6ClIN4
Molecular Weight320.52 g/mol
Exact Mass319.93
IUPAC Name1-(2-chloro-5-iodophenyl)triazol-4-amine
SMILESNc1cn(-c2cc(I)ccc2Cl)nn1
InChIInChI=1S/C8H6ClIN4/c9-6-2-1-5(10)3-7(6)14-4-8(11)12-13-14/h1-4H,11H2
InChIKeyNDOWYWXALKQWHV-UHFFFAOYSA-N
XLogP2.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-5-methylphenyl)triazol-4-amine
CID 107627716
N-[[1-(2-chloro-5-iodophenyl)triazol-4-yl]methyl]ethanamine
CID 114261207
1-(2-iodophenyl)triazol-4-amine
CID 79502430
2-[1-(2-chloro-4-iodophenyl)triazol-4-yl]ethanamine
CID 107607856
1-(2-bromo-5-iodophenyl)-4-(chloromethyl)triazole
CID 130499578
1-(2-chloro-4-iodophenyl)pyrazol-3-amine
CID 107608588
N-[[1-(2-chloro-4-iodophenyl)triazol-4-yl]methyl]-1-cyclopropylmethanamine
CID 107607854
4-(2-chloro-5-iodophenyl)-3-(chloromethyl)-1,2,4-triazole
CID 130499673
2-[[5-amino-4-(2-chloro-5-iodophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114261381
[1-(5-bromo-2-chlorophenyl)triazol-4-yl]methanol
CID 62907899
1-(2-bromo-5-methoxyphenyl)triazol-4-amine
CID 79508207
4-(2-bromoethyl)-1-(2,5-dichlorophenyl)triazole
CID 62401728

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-iodophenyl)triazol-4-amine?
The IUPAC name of 1-(2-chloro-5-iodophenyl)triazol-4-amine (CID 130499667) is 1-(2-chloro-5-iodophenyl)triazol-4-amine.
What is the SMILES notation for 1-(2-chloro-5-iodophenyl)triazol-4-amine?
The canonical SMILES for 1-(2-chloro-5-iodophenyl)triazol-4-amine is Nc1cn(-c2cc(I)ccc2Cl)nn1.
What is the InChIKey of 1-(2-chloro-5-iodophenyl)triazol-4-amine?
The InChIKey is NDOWYWXALKQWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIN4/c9-6-2-1-5(10)3-7(6)14-4-8(11)12-13-14/h1-4H,11H2.
What are the key properties of 1-(2-chloro-5-iodophenyl)triazol-4-amine?
1-(2-chloro-5-iodophenyl)triazol-4-amine has a molecular weight of 320.52 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-iodophenyl)triazol-4-amine is sourced from PubChem (CID 130499667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).