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

C5H7ClN4O — CID 119082845

IUPAC1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol
SMILESCC(O)c1nc(N)nc(Cl)n1
InChIInChI=1S/C5H7ClN4O/c1-2(11)3-8-4(6)10-5(7)9-3/h2,11H,1H3,(H2,7,8,9,10)
InChIKeyAFACODDSCUTSMS-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.16
Rot. Bonds1

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

1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol (PubChem CID 119082845) has the molecular formula C5H7ClN4O and a molecular weight of 174.59 g/mol. Its IUPAC name is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol
PubChem CID119082845
Molecular FormulaC5H7ClN4O
Molecular Weight174.59 g/mol
Exact Mass174.03
IUPAC Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol
SMILESCC(O)c1nc(N)nc(Cl)n1
InChIInChI=1S/C5H7ClN4O/c1-2(11)3-8-4(6)10-5(7)9-3/h2,11H,1H3,(H2,7,8,9,10)
InChIKeyAFACODDSCUTSMS-UHFFFAOYSA-N
XLogP0.16
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4,6-Diamino-1,3,5-triazin-2-yl)methanol
CID 10630590
[4-Amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol
CID 154423237
6-(1-Methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 20233183
1-[4,6-Bis(1-hydroxyethyl)-1,3,5-triazin-2-yl]ethanol
CID 20520753
1-(4,6-Dichloro-1,3,5-triazin-2-yl)ethanol
CID 21552518
1-(4,6-Diamino-1,3,5-triazin-2-yl)ethanol
CID 21820781
2,4-Dichloro-6-(1-methoxyethyl)-1,3,5-triazine
CID 22481950
1-(4-Amino-1,3,5-triazin-2-yl)ethanol
CID 67256070
1-(4-Amino-6-(methylthio)-1,3,5-triazin-2-yl)ethanol
CID 67257933
(4-Amino-6-methyl-1,3,5-triazin-2-yl)methanol
CID 68523475
1-(4,6-Dichloro-1,3,5-triazin-2-yl)propan-1-ol
CID 88731382
2-[1-(4,6-Diamino-1,3,5-triazin-2-yl)ethoxy]ethanol
CID 141091579

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol?
The IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol (CID 119082845) is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol.
What is the SMILES notation for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol?
The canonical SMILES for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol is CC(O)c1nc(N)nc(Cl)n1.
What is the InChIKey of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol?
The InChIKey is AFACODDSCUTSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4O/c1-2(11)3-8-4(6)10-5(7)9-3/h2,11H,1H3,(H2,7,8,9,10).
What are the key properties of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol?
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol has a molecular weight of 174.59 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)ethanol is sourced from PubChem (CID 119082845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).