4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol

C12H14N4O — CID 105488090

IUPAC4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol
SMILESNCc1c(C2CC2)nnn1-c1ccc(O)cc1
InChIInChI=1S/C12H14N4O/c13-7-11-12(8-1-2-8)14-15-16(11)9-3-5-10(17)6-4-9/h3-6,8,17H,1-2,7,13H2
InChIKeyFJPQGSFCXIOMAC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.31
Rot. Bonds3

About 4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol

4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol (PubChem CID 105488090) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol
PubChem CID105488090
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol
SMILESNCc1c(C2CC2)nnn1-c1ccc(O)cc1
InChIInChI=1S/C12H14N4O/c13-7-11-12(8-1-2-8)14-15-16(11)9-3-5-10(17)6-4-9/h3-6,8,17H,1-2,7,13H2
InChIKeyFJPQGSFCXIOMAC-UHFFFAOYSA-N
XLogP1.31
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol?
The IUPAC name of 4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol (CID 105488090) is 4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol?
The canonical SMILES for 4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol is NCc1c(C2CC2)nnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol?
The InChIKey is FJPQGSFCXIOMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-7-11-12(8-1-2-8)14-15-16(11)9-3-5-10(17)6-4-9/h3-6,8,17H,1-2,7,13H2.
What are the key properties of 4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol?
4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol has a molecular weight of 230.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-4-cyclopropyltriazol-1-yl]phenol is sourced from PubChem (CID 105488090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).