3-propoxy-4-(triazin-4-yl)phenol

C12H13N3O2 — CID 175356712

IUPAC3-propoxy-4-(triazin-4-yl)phenol
SMILESCCCOc1cc(O)ccc1-c1ccnnn1
InChIInChI=1S/C12H13N3O2/c1-2-7-17-12-8-9(16)3-4-10(12)11-5-6-13-15-14-11/h3-6,8,16H,2,7H2,1H3
InChIKeyICHLXLRCBPYQCH-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.03
Rot. Bonds4

About 3-propoxy-4-(triazin-4-yl)phenol

3-propoxy-4-(triazin-4-yl)phenol (PubChem CID 175356712) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-propoxy-4-(triazin-4-yl)phenol.

Molecular Properties

Compound Name3-propoxy-4-(triazin-4-yl)phenol
PubChem CID175356712
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-propoxy-4-(triazin-4-yl)phenol
SMILESCCCOc1cc(O)ccc1-c1ccnnn1
InChIInChI=1S/C12H13N3O2/c1-2-7-17-12-8-9(16)3-4-10(12)11-5-6-13-15-14-11/h3-6,8,16H,2,7H2,1H3
InChIKeyICHLXLRCBPYQCH-UHFFFAOYSA-N
XLogP2.03
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-4-(triazin-4-yl)phenol?
The IUPAC name of 3-propoxy-4-(triazin-4-yl)phenol (CID 175356712) is 3-propoxy-4-(triazin-4-yl)phenol.
What is the SMILES notation for 3-propoxy-4-(triazin-4-yl)phenol?
The canonical SMILES for 3-propoxy-4-(triazin-4-yl)phenol is CCCOc1cc(O)ccc1-c1ccnnn1.
What is the InChIKey of 3-propoxy-4-(triazin-4-yl)phenol?
The InChIKey is ICHLXLRCBPYQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-7-17-12-8-9(16)3-4-10(12)11-5-6-13-15-14-11/h3-6,8,16H,2,7H2,1H3.
What are the key properties of 3-propoxy-4-(triazin-4-yl)phenol?
3-propoxy-4-(triazin-4-yl)phenol has a molecular weight of 231.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-4-(triazin-4-yl)phenol is sourced from PubChem (CID 175356712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).