(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine

C8H9IN4S — CID 130530394

IUPAC(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1ncnc1C(N)c1csc(I)c1
InChIInChI=1S/C8H9IN4S/c1-13-8(11-4-12-13)7(10)5-2-6(9)14-3-5/h2-4,7H,10H2,1H3
InChIKeyUUZQMAKBKXPLKM-UHFFFAOYSA-N
MW320.16 g/mol
LogP1.53
Rot. Bonds2

About (5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine

(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 130530394) has the molecular formula C8H9IN4S and a molecular weight of 320.16 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID130530394
Molecular FormulaC8H9IN4S
Molecular Weight320.16 g/mol
Exact Mass319.96
IUPAC Name(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1ncnc1C(N)c1csc(I)c1
InChIInChI=1S/C8H9IN4S/c1-13-8(11-4-12-13)7(10)5-2-6(9)14-3-5/h2-4,7H,10H2,1H3
InChIKeyUUZQMAKBKXPLKM-UHFFFAOYSA-N
XLogP1.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279
(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115030681
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
(5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine
CID 115860644
(5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 130530350
(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115049664
1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine
CID 114979107
(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 90284000
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
CID 47000789
1-(5-iodothiophen-3-yl)propan-1-amine
CID 114980142
2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 130530383

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine (CID 130530394) is (5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine is Cn1ncnc1C(N)c1csc(I)c1.
What is the InChIKey of (5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is UUZQMAKBKXPLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4S/c1-13-8(11-4-12-13)7(10)5-2-6(9)14-3-5/h2-4,7H,10H2,1H3.
What are the key properties of (5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 320.16 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 130530394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).