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

C17H21F2N5O2 — CID 162369084

IUPAC(Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCn1nc(-c2ccc(OC/C(=C\F)CN)cc2F)nc1N1CCOCC1
InChIInChI=1S/C17H21F2N5O2/c1-23-17(24-4-6-25-7-5-24)21-16(22-23)14-3-2-13(8-15(14)19)26-11-12(9-18)10-20/h2-3,8-9H,4-7,10-11,20H2,1H3/b12-9-
InChIKeyQFWKJBVDUHAQNJ-XFXZXTDPSA-N
MW365.38 g/mol
LogP1.65
Rot. Bonds6

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

(Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 162369084) has the molecular formula C17H21F2N5O2 and a molecular weight of 365.38 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-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-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID162369084
Molecular FormulaC17H21F2N5O2
Molecular Weight365.38 g/mol
Exact Mass365.17
IUPAC Name(Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCn1nc(-c2ccc(OC/C(=C\F)CN)cc2F)nc1N1CCOCC1
InChIInChI=1S/C17H21F2N5O2/c1-23-17(24-4-6-25-7-5-24)21-16(22-23)14-3-2-13(8-15(14)19)26-11-12(9-18)10-20/h2-3,8-9H,4-7,10-11,20H2,1H3/b12-9-
InChIKeyQFWKJBVDUHAQNJ-XFXZXTDPSA-N
XLogP1.65
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-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
4-{[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]methyl}-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1272711
(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
(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
(E)-2-[[4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512055

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-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-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine (CID 162369084) is (Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-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-(1-methyl-5-morpholin-4-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-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine is Cn1nc(-c2ccc(OC/C(=C\F)CN)cc2F)nc1N1CCOCC1.
What is the InChIKey of (Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is QFWKJBVDUHAQNJ-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H21F2N5O2/c1-23-17(24-4-6-25-7-5-24)21-16(22-23)14-3-2-13(8-15(14)19)26-11-12(9-18)10-20/h2-3,8-9H,4-7,10-11,20H2,1H3/b12-9-.
What are the key properties of (Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
(Z)-3-fluoro-2-[[3-fluoro-4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 365.38 g/mol, XLogP of 1.65, 6 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-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 162369084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).