[1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine

C14H21N5O — CID 45177652

IUPAC[1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCCN(Cc3ccoc3)C2)nn1
InChIInChI=1S/C14H21N5O/c15-6-14-10-19(17-16-14)9-12-2-1-4-18(7-12)8-13-3-5-20-11-13/h3,5,10-12H,1-2,4,6-9,15H2
InChIKeyCDTKNANCITWCKM-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.24
Rot. Bonds5

About [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine

[1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine (PubChem CID 45177652) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine
PubChem CID45177652
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name[1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCCN(Cc3ccoc3)C2)nn1
InChIInChI=1S/C14H21N5O/c15-6-14-10-19(17-16-14)9-12-2-1-4-18(7-12)8-13-3-5-20-11-13/h3,5,10-12H,1-2,4,6-9,15H2
InChIKeyCDTKNANCITWCKM-UHFFFAOYSA-N
XLogP1.24
TPSA73.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine 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 [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine (CID 45177652) is [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine is NCc1cn(CC2CCCN(Cc3ccoc3)C2)nn1.
What is the InChIKey of [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is CDTKNANCITWCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c15-6-14-10-19(17-16-14)9-12-2-1-4-18(7-12)8-13-3-5-20-11-13/h3,5,10-12H,1-2,4,6-9,15H2.
What are the key properties of [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine?
[1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 275.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 45177652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).