(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol

C5H6ClN3O2 — CID 153446102

IUPAC(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol
SMILESCOc1nc(Cl)nc(CO)n1
InChIInChI=1S/C5H6ClN3O2/c1-11-5-8-3(2-10)7-4(6)9-5/h10H,2H2,1H3
InChIKeyGJAFDURSJHPPLM-UHFFFAOYSA-N
MW175.57 g/mol
LogP0.03
Rot. Bonds2

About (4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol

(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol (PubChem CID 153446102) has the molecular formula C5H6ClN3O2 and a molecular weight of 175.57 g/mol. Its IUPAC name is (4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol
PubChem CID153446102
Molecular FormulaC5H6ClN3O2
Molecular Weight175.57 g/mol
Exact Mass175.01
IUPAC Name(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol
SMILESCOc1nc(Cl)nc(CO)n1
InChIInChI=1S/C5H6ClN3O2/c1-11-5-8-3(2-10)7-4(6)9-5/h10H,2H2,1H3
InChIKeyGJAFDURSJHPPLM-UHFFFAOYSA-N
XLogP0.03
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.57
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol?
The IUPAC name of (4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol (CID 153446102) is (4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol.
What is the SMILES notation for (4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol?
The canonical SMILES for (4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol is COc1nc(Cl)nc(CO)n1.
What is the InChIKey of (4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol?
The InChIKey is GJAFDURSJHPPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O2/c1-11-5-8-3(2-10)7-4(6)9-5/h10H,2H2,1H3.
What are the key properties of (4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol?
(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol has a molecular weight of 175.57 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methoxy-1,3,5-triazin-2-yl)methanol is sourced from PubChem (CID 153446102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).