(E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine

C14H17FN4 — CID 84594365

IUPAC(E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine
SMILESCN(C/C=C/c1ccc(F)cc1)Cc1ncnn1C
InChIInChI=1S/C14H17FN4/c1-18(10-14-16-11-17-19(14)2)9-3-4-12-5-7-13(15)8-6-12/h3-8,11H,9-10H2,1-2H3/b4-3+
InChIKeyWBPPENVVLIHNEJ-ONEGZZNKSA-N
MW260.32 g/mol
LogP2.10
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine

(E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine (PubChem CID 84594365) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine
PubChem CID84594365
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name(E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine
SMILESCN(C/C=C/c1ccc(F)cc1)Cc1ncnn1C
InChIInChI=1S/C14H17FN4/c1-18(10-14-16-11-17-19(14)2)9-3-4-12-5-7-13(15)8-6-12/h3-8,11H,9-10H2,1-2H3/b4-3+
InChIKeyWBPPENVVLIHNEJ-ONEGZZNKSA-N
XLogP2.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine (CID 84594365) is (E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine is CN(C/C=C/c1ccc(F)cc1)Cc1ncnn1C.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is WBPPENVVLIHNEJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H17FN4/c1-18(10-14-16-11-17-19(14)2)9-3-4-12-5-7-13(15)8-6-12/h3-8,11H,9-10H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine?
(E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 260.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 84594365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).