2-(5-amino-4-cyclobutyltriazol-1-yl)phenol

C12H14N4O — CID 105488080

IUPAC2-(5-amino-4-cyclobutyltriazol-1-yl)phenol
SMILESNc1c(C2CCC2)nnn1-c1ccccc1O
InChIInChI=1S/C12H14N4O/c13-12-11(8-4-3-5-8)14-15-16(12)9-6-1-2-7-10(9)17/h1-2,6-8,17H,3-5,13H2
InChIKeyMRTNXEUDRRLAKQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.82
Rot. Bonds2

About 2-(5-amino-4-cyclobutyltriazol-1-yl)phenol

2-(5-amino-4-cyclobutyltriazol-1-yl)phenol (PubChem CID 105488080) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(5-amino-4-cyclobutyltriazol-1-yl)phenol.

Molecular Properties

Compound Name2-(5-amino-4-cyclobutyltriazol-1-yl)phenol
PubChem CID105488080
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(5-amino-4-cyclobutyltriazol-1-yl)phenol
SMILESNc1c(C2CCC2)nnn1-c1ccccc1O
InChIInChI=1S/C12H14N4O/c13-12-11(8-4-3-5-8)14-15-16(12)9-6-1-2-7-10(9)17/h1-2,6-8,17H,3-5,13H2
InChIKeyMRTNXEUDRRLAKQ-UHFFFAOYSA-N
XLogP1.82
TPSA76.96 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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 82370618
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CID 82370605
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82370611
2-(5-pyrrolidin-3-yltriazol-1-yl)phenol
CID 84693510
5-cyclopentyl-3-propan-2-yltriazol-4-amine
CID 105448577
4-(5-cyclopentyl-4-hydroxytriazol-1-yl)benzene-1,3-diol
CID 66921747
5-cyclobutyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
CID 82201402
5-cyclohexyl-3-propan-2-yltriazol-4-amine
CID 105462405
2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol
CID 82370610
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
5-cyclobutyl-1-(2-fluorophenyl)triazole-4-carbaldehyde
CID 82196547
2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol
CID 115056385

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-cyclobutyltriazol-1-yl)phenol?
The IUPAC name of 2-(5-amino-4-cyclobutyltriazol-1-yl)phenol (CID 105488080) is 2-(5-amino-4-cyclobutyltriazol-1-yl)phenol.
What is the SMILES notation for 2-(5-amino-4-cyclobutyltriazol-1-yl)phenol?
The canonical SMILES for 2-(5-amino-4-cyclobutyltriazol-1-yl)phenol is Nc1c(C2CCC2)nnn1-c1ccccc1O.
What is the InChIKey of 2-(5-amino-4-cyclobutyltriazol-1-yl)phenol?
The InChIKey is MRTNXEUDRRLAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-12-11(8-4-3-5-8)14-15-16(12)9-6-1-2-7-10(9)17/h1-2,6-8,17H,3-5,13H2.
What are the key properties of 2-(5-amino-4-cyclobutyltriazol-1-yl)phenol?
2-(5-amino-4-cyclobutyltriazol-1-yl)phenol has a molecular weight of 230.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-cyclobutyltriazol-1-yl)phenol is sourced from PubChem (CID 105488080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).