4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol

C12H13N3O2 — CID 136699767

IUPAC4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol
SMILESOCCCc1nncc(-c2ccc(O)cc2)n1
InChIInChI=1S/C12H13N3O2/c16-7-1-2-12-14-11(8-13-15-12)9-3-5-10(17)6-4-9/h3-6,8,16-17H,1-2,7H2
InChIKeyRBUGELQGVJZLMP-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.17
Rot. Bonds4

About 4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol

4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol (PubChem CID 136699767) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol
PubChem CID136699767
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol
SMILESOCCCc1nncc(-c2ccc(O)cc2)n1
InChIInChI=1S/C12H13N3O2/c16-7-1-2-12-14-11(8-13-15-12)9-3-5-10(17)6-4-9/h3-6,8,16-17H,1-2,7H2
InChIKeyRBUGELQGVJZLMP-UHFFFAOYSA-N
XLogP1.17
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol?
The IUPAC name of 4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol (CID 136699767) is 4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol.
What is the SMILES notation for 4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol?
The canonical SMILES for 4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol is OCCCc1nncc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol?
The InChIKey is RBUGELQGVJZLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-7-1-2-12-14-11(8-13-15-12)9-3-5-10(17)6-4-9/h3-6,8,16-17H,1-2,7H2.
What are the key properties of 4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol?
4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol has a molecular weight of 231.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol is sourced from PubChem (CID 136699767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).