2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol

C16H13N5O — CID 5293992

IUPAC2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol
SMILESNc1nc(/C=C/c2cccnc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H13N5O/c17-16-20-14(8-7-11-4-3-9-18-10-11)19-15(21-16)12-5-1-2-6-13(12)22/h1-10,22H,(H2,17,19,20,21)/b8-7+
InChIKeyWTGHURLGUXYVQE-BQYQJAHWSA-N
MW291.31 g/mol
LogP2.39
Rot. Bonds3

About 2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol

2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol (PubChem CID 5293992) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol
PubChem CID5293992
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol
SMILESNc1nc(/C=C/c2cccnc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H13N5O/c17-16-20-14(8-7-11-4-3-9-18-10-11)19-15(21-16)12-5-1-2-6-13(12)22/h1-10,22H,(H2,17,19,20,21)/b8-7+
InChIKeyWTGHURLGUXYVQE-BQYQJAHWSA-N
XLogP2.39
TPSA97.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol (CID 5293992) is 2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol is Nc1nc(/C=C/c2cccnc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol?
The InChIKey is WTGHURLGUXYVQE-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13N5O/c17-16-20-14(8-7-11-4-3-9-18-10-11)19-15(21-16)12-5-1-2-6-13(12)22/h1-10,22H,(H2,17,19,20,21)/b8-7+.
What are the key properties of 2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol?
2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol has a molecular weight of 291.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-[(E)-2-pyridin-3-ylethenyl]-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 5293992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).