N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine

C15H16N4O — CID 105146680

IUPACN-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O/c1-2-16-15(12-8-9-20-11-12)14-10-17-19(18-14)13-6-4-3-5-7-13/h3-11,15-16H,2H2,1H3
InChIKeyGSHPNQKEVKWYMU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.56
Rot. Bonds5

About N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine

N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine (PubChem CID 105146680) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine
PubChem CID105146680
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O/c1-2-16-15(12-8-9-20-11-12)14-10-17-19(18-14)13-6-4-3-5-7-13/h3-11,15-16H,2H2,1H3
InChIKeyGSHPNQKEVKWYMU-UHFFFAOYSA-N
XLogP2.56
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149998
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105146743
N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine
CID 105163963
N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 105187480
N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)methanamine
CID 105148730
1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
CID 105088239
N-ethyl-1-(2-phenyltriazol-4-yl)hex-5-en-1-amine
CID 105153106
4-pentan-2-yl-2-phenyltriazole
CID 163429787
[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292082
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855553
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 114013665

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine (CID 105146680) is N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine is CCNC(c1ccoc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine?
The InChIKey is GSHPNQKEVKWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-16-15(12-8-9-20-11-12)14-10-17-19(18-14)13-6-4-3-5-7-13/h3-11,15-16H,2H2,1H3.
What are the key properties of N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine?
N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105146680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).