2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol

C18H14N8O — CID 135656924

IUPAC2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(/C=C/c2ccccc2)nc(Nc2nn[nH]n2)n1
InChIInChI=1S/C18H14N8O/c27-14-9-5-4-8-13(14)16-19-15(11-10-12-6-2-1-3-7-12)20-17(21-16)22-18-23-25-26-24-18/h1-11,27H,(H2,19,20,21,22,23,24,25,26)/b11-10+
InChIKeyFITPGICNBYZREJ-ZHACJKMWSA-N
MW358.37 g/mol
LogP2.67
Rot. Bonds5

About 2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol

2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol (PubChem CID 135656924) has the molecular formula C18H14N8O and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol
PubChem CID135656924
Molecular FormulaC18H14N8O
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(/C=C/c2ccccc2)nc(Nc2nn[nH]n2)n1
InChIInChI=1S/C18H14N8O/c27-14-9-5-4-8-13(14)16-19-15(11-10-12-6-2-1-3-7-12)20-17(21-16)22-18-23-25-26-24-18/h1-11,27H,(H2,19,20,21,22,23,24,25,26)/b11-10+
InChIKeyFITPGICNBYZREJ-ZHACJKMWSA-N
XLogP2.67
TPSA125.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol (CID 135656924) is 2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol is Oc1ccccc1-c1nc(/C=C/c2ccccc2)nc(Nc2nn[nH]n2)n1.
What is the InChIKey of 2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol?
The InChIKey is FITPGICNBYZREJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H14N8O/c27-14-9-5-4-8-13(14)16-19-15(11-10-12-6-2-1-3-7-12)20-17(21-16)22-18-23-25-26-24-18/h1-11,27H,(H2,19,20,21,22,23,24,25,26)/b11-10+.
What are the key properties of 2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol?
2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol has a molecular weight of 358.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 135656924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).