1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine

C14H19FN4S — CID 66053275

IUPAC1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1ncnc1CC(N)CSc1ccccc1F
InChIInChI=1S/C14H19FN4S/c1-2-7-19-14(17-10-18-19)8-11(16)9-20-13-6-4-3-5-12(13)15/h3-6,10-11H,2,7-9,16H2,1H3
InChIKeyOEKVUMVKHYMQBW-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.49
Rot. Bonds7

About 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine

1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 66053275) has the molecular formula C14H19FN4S and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID66053275
Molecular FormulaC14H19FN4S
Molecular Weight294.40 g/mol
Exact Mass294.13
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1ncnc1CC(N)CSc1ccccc1F
InChIInChI=1S/C14H19FN4S/c1-2-7-19-14(17-10-18-19)8-11(16)9-20-13-6-4-3-5-12(13)15/h3-6,10-11H,2,7-9,16H2,1H3
InChIKeyOEKVUMVKHYMQBW-UHFFFAOYSA-N
XLogP2.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine (CID 66053275) is 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine is CCCn1ncnc1CC(N)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is OEKVUMVKHYMQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4S/c1-2-7-19-14(17-10-18-19)8-11(16)9-20-13-6-4-3-5-12(13)15/h3-6,10-11H,2,7-9,16H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 294.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 66053275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).