4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol

C12H14N4O — CID 136699736

IUPAC4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1ccc(-c2n[nH]c(C3CCNC3)n2)cc1
InChIInChI=1S/C12H14N4O/c17-10-3-1-8(2-4-10)11-14-12(16-15-11)9-5-6-13-7-9/h1-4,9,13,17H,5-7H2,(H,14,15,16)
InChIKeyVAQLQPIPALCSMM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.25
Rot. Bonds2

About 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol

4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol (PubChem CID 136699736) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol
PubChem CID136699736
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1ccc(-c2n[nH]c(C3CCNC3)n2)cc1
InChIInChI=1S/C12H14N4O/c17-10-3-1-8(2-4-10)11-14-12(16-15-11)9-5-6-13-7-9/h1-4,9,13,17H,5-7H2,(H,14,15,16)
InChIKeyVAQLQPIPALCSMM-UHFFFAOYSA-N
XLogP1.25
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569184
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67055603
3-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)aniline
CID 66487005
2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride
CID 67028379
4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
CID 115037744
3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 82569112
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylaniline
CID 61338708
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride
CID 68759356
[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736498
2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 61337767
4-[3-(5-bromofuran-2-yl)-1H-1,2,4-triazol-5-yl]piperidine
CID 54773332

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol (CID 136699736) is 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol is Oc1ccc(-c2n[nH]c(C3CCNC3)n2)cc1.
What is the InChIKey of 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol?
The InChIKey is VAQLQPIPALCSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-10-3-1-8(2-4-10)11-14-12(16-15-11)9-5-6-13-7-9/h1-4,9,13,17H,5-7H2,(H,14,15,16).
What are the key properties of 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol?
4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol has a molecular weight of 230.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 136699736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).