(Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine

C19H25F2N5O2 — CID 162369085

IUPAC(Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCC(C)n1nc(-c2ccc(OC/C(=C\F)CN)cc2F)nc1N1CCOCC1
InChIInChI=1S/C19H25F2N5O2/c1-13(2)26-19(25-5-7-27-8-6-25)23-18(24-26)16-4-3-15(9-17(16)21)28-12-14(10-20)11-22/h3-4,9-10,13H,5-8,11-12,22H2,1-2H3/b14-10-
InChIKeyLBZZWBWCOKUOCZ-UVTDQMKNSA-N
MW393.44 g/mol
LogP2.69
Rot. Bonds7

About (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine

(Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 162369085) has the molecular formula C19H25F2N5O2 and a molecular weight of 393.44 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID162369085
Molecular FormulaC19H25F2N5O2
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC Name(Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCC(C)n1nc(-c2ccc(OC/C(=C\F)CN)cc2F)nc1N1CCOCC1
InChIInChI=1S/C19H25F2N5O2/c1-13(2)26-19(25-5-7-27-8-6-25)23-18(24-26)16-4-3-15(9-17(16)21)28-12-14(10-20)11-22/h3-4,9-10,13H,5-8,11-12,22H2,1-2H3/b14-10-
InChIKeyLBZZWBWCOKUOCZ-UVTDQMKNSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

Loxtidine
CID 55473
(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-(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-[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
(E)-2-[[4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512055
(E)-2-[[4-[5-(difluoromethyl)-1-ethyl-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512058
(E)-3-fluoro-2-[[4-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512068
(E)-3-fluoro-2-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512070
(E)-3-fluoro-2-[[4-[2-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512152

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine (CID 162369085) is (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine is CC(C)n1nc(-c2ccc(OC/C(=C\F)CN)cc2F)nc1N1CCOCC1.
What is the InChIKey of (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is LBZZWBWCOKUOCZ-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H25F2N5O2/c1-13(2)26-19(25-5-7-27-8-6-25)23-18(24-26)16-4-3-15(9-17(16)21)28-12-14(10-20)11-22/h3-4,9-10,13H,5-8,11-12,22H2,1-2H3/b14-10-.
What are the key properties of (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
(Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 393.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-[[3-fluoro-4-(5-morpholin-4-yl-1-propan-2-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 162369085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).