N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine

C13H20N4O — CID 114687797

IUPACN-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cnnn1CCC
InChIInChI=1S/C13H20N4O/c1-3-6-14-13(11-5-8-18-10-11)12-9-15-16-17(12)7-4-2/h5,8-10,13-14H,3-4,6-7H2,1-2H3
InChIKeyNPXUJDIPDNMPQX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.37
Rot. Bonds7

About N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine

N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114687797) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114687797
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cnnn1CCC
InChIInChI=1S/C13H20N4O/c1-3-6-14-13(11-5-8-18-10-11)12-9-15-16-17(12)7-4-2/h5,8-10,13-14H,3-4,6-7H2,1-2H3
InChIKeyNPXUJDIPDNMPQX-UHFFFAOYSA-N
XLogP2.37
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine 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

N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
N-[(3-chloro-4-iodophenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 103216251
N-[(4-chloro-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 107995221
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687718
N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114686864
N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105182286
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923832
N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine (CID 114687797) is N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)c1cnnn1CCC.
What is the InChIKey of N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is NPXUJDIPDNMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-6-14-13(11-5-8-18-10-11)12-9-15-16-17(12)7-4-2/h5,8-10,13-14H,3-4,6-7H2,1-2H3.
What are the key properties of N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine?
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114687797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).