(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide

C19H16F3N5O — CID 143479803

IUPAC(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide
SMILESNC(/C=C\c1n[nH]c(Cc2ccc(O)cc2)n1)=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)13-2-1-3-14(11-13)24-16(23)8-9-17-25-18(27-26-17)10-12-4-6-15(28)7-5-12/h1-9,11,28H,10H2,(H2,23,24)(H,25,26,27)/b9-8-
InChIKeyJMWAWQOUXNOQGW-HJWRWDBZSA-N
MW387.37 g/mol
LogP3.82
Rot. Bonds5

About (Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide

(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide (PubChem CID 143479803) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is (Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide
PubChem CID143479803
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide
SMILESNC(/C=C\c1n[nH]c(Cc2ccc(O)cc2)n1)=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)13-2-1-3-14(11-13)24-16(23)8-9-17-25-18(27-26-17)10-12-4-6-15(28)7-5-12/h1-9,11,28H,10H2,(H2,23,24)(H,25,26,27)/b9-8-
InChIKeyJMWAWQOUXNOQGW-HJWRWDBZSA-N
XLogP3.82
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[5-[(3-aminophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-(3-chlorophenyl)prop-2-enimidamide
CID 136623025
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CID 21382945
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
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2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
CID 58663964
(Z)-N'-cyclopropyl-3-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]prop-2-enimidamide
CID 162550270
3-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 62115238

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide?
The IUPAC name of (Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide (CID 143479803) is (Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide?
The canonical SMILES for (Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide is NC(/C=C\c1n[nH]c(Cc2ccc(O)cc2)n1)=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of (Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide?
The InChIKey is JMWAWQOUXNOQGW-HJWRWDBZSA-N. The full InChI is InChI=1S/C19H16F3N5O/c20-19(21,22)13-2-1-3-14(11-13)24-16(23)8-9-17-25-18(27-26-17)10-12-4-6-15(28)7-5-12/h1-9,11,28H,10H2,(H2,23,24)(H,25,26,27)/b9-8-.
What are the key properties of (Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide?
(Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide has a molecular weight of 387.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[(4-hydroxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-N'-[3-(trifluoromethyl)phenyl]prop-2-enimidamide is sourced from PubChem (CID 143479803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).