(E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide

C20H17N5O — CID 8902438

IUPAC(E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2nnc3c4ccccc4cnn23)c1
InChIInChI=1S/C20H17N5O/c1-2-14-6-5-8-16(12-14)22-19(26)11-10-18-23-24-20-17-9-4-3-7-15(17)13-21-25(18)20/h3-13H,2H2,1H3,(H,22,26)/b11-10+
InChIKeyAVVJPLHDOOWZOF-ZHACJKMWSA-N
MW343.39 g/mol
LogP3.49
Rot. Bonds4

About (E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide

(E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide (PubChem CID 8902438) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is (E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide
PubChem CID8902438
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name(E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2nnc3c4ccccc4cnn23)c1
InChIInChI=1S/C20H17N5O/c1-2-14-6-5-8-16(12-14)22-19(26)11-10-18-23-24-20-17-9-4-3-7-15(17)13-21-25(18)20/h3-13H,2H2,1H3,(H,22,26)/b11-10+
InChIKeyAVVJPLHDOOWZOF-ZHACJKMWSA-N
XLogP3.49
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide
CID 25337159
(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2169951
methyl 4-[(E)-3-(3-ethylanilino)-3-oxoprop-1-enyl]benzoate
CID 26736487
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6161453
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 844866
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 26736528
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939
(E)-3-(4-chloro-3-nitrophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 7699851
(E)-N-[3-[[[5-(2-hydroxyphenyl)-3-phosphanylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-3-thiophen-2-ylprop-2-enamide
CID 142871405
2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]acetic acid
CID 12818891

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide (CID 8902438) is (E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide is CCc1cccc(NC(=O)/C=C/c2nnc3c4ccccc4cnn23)c1.
What is the InChIKey of (E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide?
The InChIKey is AVVJPLHDOOWZOF-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H17N5O/c1-2-14-6-5-8-16(12-14)22-19(26)11-10-18-23-24-20-17-9-4-3-7-15(17)13-21-25(18)20/h3-13H,2H2,1H3,(H,22,26)/b11-10+.
What are the key properties of (E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide?
(E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide has a molecular weight of 343.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide is sourced from PubChem (CID 8902438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).