[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol

C10H9ClN4O — CID 123825024

IUPAC[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol
SMILESOCc1ccccc1Nc1ncnc(Cl)n1
InChIInChI=1S/C10H9ClN4O/c11-9-12-6-13-10(15-9)14-8-4-2-1-3-7(8)5-16/h1-4,6,16H,5H2,(H,12,13,14,15)
InChIKeyWFEAQEAQYKJPLQ-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.76
Rot. Bonds3

About [2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol

[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol (PubChem CID 123825024) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is [2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol
PubChem CID123825024
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol
SMILESOCc1ccccc1Nc1ncnc(Cl)n1
InChIInChI=1S/C10H9ClN4O/c11-9-12-6-13-10(15-9)14-8-4-2-1-3-7(8)5-16/h1-4,6,16H,5H2,(H,12,13,14,15)
InChIKeyWFEAQEAQYKJPLQ-UHFFFAOYSA-N
XLogP1.76
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol?
The IUPAC name of [2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol (CID 123825024) is [2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol?
The canonical SMILES for [2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol is OCc1ccccc1Nc1ncnc(Cl)n1.
What is the InChIKey of [2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol?
The InChIKey is WFEAQEAQYKJPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-9-12-6-13-10(15-9)14-8-4-2-1-3-7(8)5-16/h1-4,6,16H,5H2,(H,12,13,14,15).
What are the key properties of [2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol?
[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol has a molecular weight of 236.66 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 123825024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).