(Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine

C13H15FN4O — CID 162369024

IUPAC(Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCn1cnc(-c2ccc(OC/C(=C\F)CN)cc2)n1
InChIInChI=1S/C13H15FN4O/c1-18-9-16-13(17-18)11-2-4-12(5-3-11)19-8-10(6-14)7-15/h2-6,9H,7-8,15H2,1H3/b10-6-
InChIKeyHFUDEGFAPDPSIS-POHAHGRESA-N
MW262.29 g/mol
LogP1.67
Rot. Bonds5

About (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine

(Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 162369024) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID162369024
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name(Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCn1cnc(-c2ccc(OC/C(=C\F)CN)cc2)n1
InChIInChI=1S/C13H15FN4O/c1-18-9-16-13(17-18)11-2-4-12(5-3-11)19-8-10(6-14)7-15/h2-6,9H,7-8,15H2,1H3/b10-6-
InChIKeyHFUDEGFAPDPSIS-POHAHGRESA-N
XLogP1.67
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

5-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 781002
5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 3239895
(E)-2-[[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146511993
(E)-3-fluoro-2-[[4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146511997
(E)-2-[[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512002
3-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 146512006
(E)-2-[[4-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512009
(E)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512011
(E)-3-fluoro-2-[[4-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512013
(E)-3-fluoro-2-[[4-[1-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512046
(E)-2-[[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-fluorophenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512047
(E)-3-fluoro-2-[[4-[5-(1-fluorocyclopropyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512048

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine (CID 162369024) is (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine is Cn1cnc(-c2ccc(OC/C(=C\F)CN)cc2)n1.
What is the InChIKey of (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is HFUDEGFAPDPSIS-POHAHGRESA-N. The full InChI is InChI=1S/C13H15FN4O/c1-18-9-16-13(17-18)11-2-4-12(5-3-11)19-8-10(6-14)7-15/h2-6,9H,7-8,15H2,1H3/b10-6-.
What are the key properties of (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
(Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 262.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 162369024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).