(2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide

C19H16N4O2 — CID 119046904

IUPAC(2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide
SMILESO=C(/C=C1/CCOc2ccccc21)Nc1nncn1-c1ccccc1
InChIInChI=1S/C19H16N4O2/c24-18(12-14-10-11-25-17-9-5-4-8-16(14)17)21-19-22-20-13-23(19)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,21,22,24)/b14-12-
InChIKeyFQQRGNZXBSYKSQ-OWBHPGMISA-N
MW332.36 g/mol
LogP3.07
Rot. Bonds3

About (2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide

(2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 119046904) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name(2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide
PubChem CID119046904
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name(2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide
SMILESO=C(/C=C1/CCOc2ccccc21)Nc1nncn1-c1ccccc1
InChIInChI=1S/C19H16N4O2/c24-18(12-14-10-11-25-17-9-5-4-8-16(14)17)21-19-22-20-13-23(19)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,21,22,24)/b14-12-
InChIKeyFQQRGNZXBSYKSQ-OWBHPGMISA-N
XLogP3.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of (2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide (CID 119046904) is (2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for (2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for (2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide is O=C(/C=C1/CCOc2ccccc21)Nc1nncn1-c1ccccc1.
What is the InChIKey of (2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is FQQRGNZXBSYKSQ-OWBHPGMISA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18(12-14-10-11-25-17-9-5-4-8-16(14)17)21-19-22-20-13-23(19)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,21,22,24)/b14-12-.
What are the key properties of (2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide?
(2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2,3-dihydrochromen-4-ylidene)-N-(4-phenyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 119046904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).