2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol

C19H16N4O — CID 5294061

IUPAC2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESCn1cc(/C=C/c2nc(-c3ccccc3O)n[nH]2)c2ccccc21
InChIInChI=1S/C19H16N4O/c1-23-12-13(14-6-2-4-8-16(14)23)10-11-18-20-19(22-21-18)15-7-3-5-9-17(15)24/h2-12,24H,1H3,(H,20,21,22)/b11-10+
InChIKeyGGKFTQKZRCCACA-ZHACJKMWSA-N
MW316.36 g/mol
LogP3.84
Rot. Bonds3

About 2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol

2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 5294061) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
PubChem CID5294061
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESCn1cc(/C=C/c2nc(-c3ccccc3O)n[nH]2)c2ccccc21
InChIInChI=1S/C19H16N4O/c1-23-12-13(14-6-2-4-8-16(14)23)10-11-18-20-19(22-21-18)15-7-3-5-9-17(15)24/h2-12,24H,1H3,(H,20,21,22)/b11-10+
InChIKeyGGKFTQKZRCCACA-ZHACJKMWSA-N
XLogP3.84
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol (CID 5294061) is 2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol is Cn1cc(/C=C/c2nc(-c3ccccc3O)n[nH]2)c2ccccc21.
What is the InChIKey of 2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is GGKFTQKZRCCACA-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16N4O/c1-23-12-13(14-6-2-4-8-16(14)23)10-11-18-20-19(22-21-18)15-7-3-5-9-17(15)24/h2-12,24H,1H3,(H,20,21,22)/b11-10+.
What are the key properties of 2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol?
2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 316.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 5294061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).