(5-ethoxytriazin-4-yl)-phenylmethanol

C12H13N3O2 — CID 15369774

IUPAC(5-ethoxytriazin-4-yl)-phenylmethanol
SMILESCCOc1cnnnc1C(O)c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-2-17-10-8-13-15-14-11(10)12(16)9-6-4-3-5-7-9/h3-8,12,16H,2H2,1H3
InChIKeyNXYGECGNODMXON-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.35
Rot. Bonds4

About (5-ethoxytriazin-4-yl)-phenylmethanol

(5-ethoxytriazin-4-yl)-phenylmethanol (PubChem CID 15369774) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is (5-ethoxytriazin-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-ethoxytriazin-4-yl)-phenylmethanol
PubChem CID15369774
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name(5-ethoxytriazin-4-yl)-phenylmethanol
SMILESCCOc1cnnnc1C(O)c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-2-17-10-8-13-15-14-11(10)12(16)9-6-4-3-5-7-9/h3-8,12,16H,2H2,1H3
InChIKeyNXYGECGNODMXON-UHFFFAOYSA-N
XLogP1.35
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxytriazin-4-yl)-phenylmethanol?
The IUPAC name of (5-ethoxytriazin-4-yl)-phenylmethanol (CID 15369774) is (5-ethoxytriazin-4-yl)-phenylmethanol.
What is the SMILES notation for (5-ethoxytriazin-4-yl)-phenylmethanol?
The canonical SMILES for (5-ethoxytriazin-4-yl)-phenylmethanol is CCOc1cnnnc1C(O)c1ccccc1.
What is the InChIKey of (5-ethoxytriazin-4-yl)-phenylmethanol?
The InChIKey is NXYGECGNODMXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-10-8-13-15-14-11(10)12(16)9-6-4-3-5-7-9/h3-8,12,16H,2H2,1H3.
What are the key properties of (5-ethoxytriazin-4-yl)-phenylmethanol?
(5-ethoxytriazin-4-yl)-phenylmethanol has a molecular weight of 231.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxytriazin-4-yl)-phenylmethanol is sourced from PubChem (CID 15369774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).