(3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine

C8H9FN4S — CID 130603707

IUPAC(3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine
SMILESCn1cc(C(N)c2sccc2F)nn1
InChIInChI=1S/C8H9FN4S/c1-13-4-6(11-12-13)7(10)8-5(9)2-3-14-8/h2-4,7H,10H2,1H3
InChIKeyMOQRIOLKSXJTNT-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.06
Rot. Bonds2

About (3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine

(3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine (PubChem CID 130603707) has the molecular formula C8H9FN4S and a molecular weight of 212.25 g/mol. Its IUPAC name is (3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine
PubChem CID130603707
Molecular FormulaC8H9FN4S
Molecular Weight212.25 g/mol
Exact Mass212.05
IUPAC Name(3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine
SMILESCn1cc(C(N)c2sccc2F)nn1
InChIInChI=1S/C8H9FN4S/c1-13-4-6(11-12-13)7(10)8-5(9)2-3-14-8/h2-4,7H,10H2,1H3
InChIKeyMOQRIOLKSXJTNT-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-{[1-(2-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanamine
CID 28139267
1-propyl-4-[(E)-2-thiophen-2-ylethenyl]triazole
CID 168276017
1-propyl-4-[(Z)-2-thiophen-2-ylethenyl]triazole
CID 168296645
1-(3-Methylcyclopentyl)-4-thiophen-2-yltriazole
CID 126836996
3-(3-Fluorothiophen-2-yl)-1-propan-2-ylpyrazole
CID 142566294
1-Butyl-4-thiophen-2-yltriazole
CID 132072830
4-Thiophen-2-yl-1-undecyltriazole
CID 178341504
1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
CID 55088562
1-Thiophen-2-yl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
CID 61631233
2-(5-Methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631473
2-Thiophen-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631571
1-Thiophen-2-yl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 61631819

Frequently Asked Questions

What is the IUPAC name of (3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine?
The IUPAC name of (3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine (CID 130603707) is (3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine?
The canonical SMILES for (3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine is Cn1cc(C(N)c2sccc2F)nn1.
What is the InChIKey of (3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine?
The InChIKey is MOQRIOLKSXJTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4S/c1-13-4-6(11-12-13)7(10)8-5(9)2-3-14-8/h2-4,7H,10H2,1H3.
What are the key properties of (3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine?
(3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine has a molecular weight of 212.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 130603707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).