2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol

C8H13ClN4O — CID 22167007

IUPAC2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
SMILESCCCc1nc(Cl)nc(NCCO)n1
InChIInChI=1S/C8H13ClN4O/c1-2-3-6-11-7(9)13-8(12-6)10-4-5-14/h14H,2-5H2,1H3,(H,10,11,12,13)
InChIKeyGWZHFTVSEHQITC-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.88
Rot. Bonds5

About 2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol

2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 22167007) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID22167007
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol
SMILESCCCc1nc(Cl)nc(NCCO)n1
InChIInChI=1S/C8H13ClN4O/c1-2-3-6-11-7(9)13-8(12-6)10-4-5-14/h14H,2-5H2,1H3,(H,10,11,12,13)
InChIKeyGWZHFTVSEHQITC-UHFFFAOYSA-N
XLogP0.88
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol (CID 22167007) is 2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol is CCCc1nc(Cl)nc(NCCO)n1.
What is the InChIKey of 2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is GWZHFTVSEHQITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-2-3-6-11-7(9)13-8(12-6)10-4-5-14/h14H,2-5H2,1H3,(H,10,11,12,13).
What are the key properties of 2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol?
2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 216.67 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-propyl-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 22167007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).