2-(5-pyrrolidin-3-yltriazol-1-yl)phenol

C12H14N4O — CID 84693510

IUPAC2-(5-pyrrolidin-3-yltriazol-1-yl)phenol
SMILESOc1ccccc1-n1nncc1C1CCNC1
InChIInChI=1S/C12H14N4O/c17-12-4-2-1-3-10(12)16-11(8-14-15-16)9-5-6-13-7-9/h1-4,8-9,13,17H,5-7H2
InChIKeyILZHIPBMTNIJKM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.05
Rot. Bonds2

About 2-(5-pyrrolidin-3-yltriazol-1-yl)phenol

2-(5-pyrrolidin-3-yltriazol-1-yl)phenol (PubChem CID 84693510) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(5-pyrrolidin-3-yltriazol-1-yl)phenol.

Molecular Properties

Compound Name2-(5-pyrrolidin-3-yltriazol-1-yl)phenol
PubChem CID84693510
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(5-pyrrolidin-3-yltriazol-1-yl)phenol
SMILESOc1ccccc1-n1nncc1C1CCNC1
InChIInChI=1S/C12H14N4O/c17-12-4-2-1-3-10(12)16-11(8-14-15-16)9-5-6-13-7-9/h1-4,8-9,13,17H,5-7H2
InChIKeyILZHIPBMTNIJKM-UHFFFAOYSA-N
XLogP1.05
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-phenyltriazol-4-yl)piperidine
CID 84692024
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
3-pyrrolidin-3-ylimidazo[1,5-a]pyridin-8-ol
CID 105455282
2-(5-amino-4-cyclobutyltriazol-1-yl)phenol
CID 105488080
2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol
CID 84693433
2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol
CID 84771208
2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol
CID 170334172
1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484973
3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol
CID 84672235
2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
CID 130691966
3-amino-2-pyrrolidin-3-ylphenol
CID 117103671
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrrolidin-3-yltriazol-1-yl)phenol?
The IUPAC name of 2-(5-pyrrolidin-3-yltriazol-1-yl)phenol (CID 84693510) is 2-(5-pyrrolidin-3-yltriazol-1-yl)phenol.
What is the SMILES notation for 2-(5-pyrrolidin-3-yltriazol-1-yl)phenol?
The canonical SMILES for 2-(5-pyrrolidin-3-yltriazol-1-yl)phenol is Oc1ccccc1-n1nncc1C1CCNC1.
What is the InChIKey of 2-(5-pyrrolidin-3-yltriazol-1-yl)phenol?
The InChIKey is ILZHIPBMTNIJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12-4-2-1-3-10(12)16-11(8-14-15-16)9-5-6-13-7-9/h1-4,8-9,13,17H,5-7H2.
What are the key properties of 2-(5-pyrrolidin-3-yltriazol-1-yl)phenol?
2-(5-pyrrolidin-3-yltriazol-1-yl)phenol has a molecular weight of 230.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrrolidin-3-yltriazol-1-yl)phenol is sourced from PubChem (CID 84693510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).