[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol

C12H16N4O — CID 105359663

IUPAC[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol
SMILESCC(N)c1ncn(Cc2ccc(CO)cc2)n1
InChIInChI=1S/C12H16N4O/c1-9(13)12-14-8-16(15-12)6-10-2-4-11(7-17)5-3-10/h2-5,8-9,17H,6-7,13H2,1H3
InChIKeyLWVHNKCOSDTFBV-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.84
Rot. Bonds4

About [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol

[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol (PubChem CID 105359663) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol
PubChem CID105359663
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol
SMILESCC(N)c1ncn(Cc2ccc(CO)cc2)n1
InChIInChI=1S/C12H16N4O/c1-9(13)12-14-8-16(15-12)6-10-2-4-11(7-17)5-3-10/h2-5,8-9,17H,6-7,13H2,1H3
InChIKeyLWVHNKCOSDTFBV-UHFFFAOYSA-N
XLogP0.84
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol (CID 105359663) is [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol is CC(N)c1ncn(Cc2ccc(CO)cc2)n1.
What is the InChIKey of [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol?
The InChIKey is LWVHNKCOSDTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(13)12-14-8-16(15-12)6-10-2-4-11(7-17)5-3-10/h2-5,8-9,17H,6-7,13H2,1H3.
What are the key properties of [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol?
[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol has a molecular weight of 232.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 105359663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).