(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide

C14H14N6O2 — CID 108855710

IUPAC(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C(C#N)=C\Nc2ncn[nH]2)cc1
InChIInChI=1S/C14H14N6O2/c1-2-22-12-5-3-11(4-6-12)19-13(21)10(7-15)8-16-14-17-9-18-20-14/h3-6,8-9H,2H2,1H3,(H,19,21)(H2,16,17,18,20)/b10-8-
InChIKeyOWAKOYKOHXDYPM-NTMALXAHSA-N
MW298.31 g/mol
LogP1.66
Rot. Bonds6

About (Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide

(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide (PubChem CID 108855710) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
PubChem CID108855710
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C(C#N)=C\Nc2ncn[nH]2)cc1
InChIInChI=1S/C14H14N6O2/c1-2-22-12-5-3-11(4-6-12)19-13(21)10(7-15)8-16-14-17-9-18-20-14/h3-6,8-9H,2H2,1H3,(H,19,21)(H2,16,17,18,20)/b10-8-
InChIKeyOWAKOYKOHXDYPM-NTMALXAHSA-N
XLogP1.66
TPSA115.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-N-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108851985
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108815180
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855612
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-indazol-6-ylamino)prop-2-enamide
CID 108855713
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108840848
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylanilino)prop-2-enamide
CID 108855756
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide
CID 108855605
(Z)-3-(3-chloroanilino)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855593
(Z)-N-butan-2-yl-2-cyano-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108834527
(Z)-2-cyano-3-(2,2-diethoxyethylamino)-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855832
(Z)-3-(3-chloro-4-fluoroanilino)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855720
methyl 2-[[(Z)-2-cyano-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enoyl]amino]benzoate
CID 108851617

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide (CID 108855710) is (Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide is CCOc1ccc(NC(=O)/C(C#N)=C\Nc2ncn[nH]2)cc1.
What is the InChIKey of (Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide?
The InChIKey is OWAKOYKOHXDYPM-NTMALXAHSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-2-22-12-5-3-11(4-6-12)19-13(21)10(7-15)8-16-14-17-9-18-20-14/h3-6,8-9H,2H2,1H3,(H,19,21)(H2,16,17,18,20)/b10-8-.
What are the key properties of (Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide?
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide has a molecular weight of 298.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide is sourced from PubChem (CID 108855710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).