N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine

C11H16N4O — CID 62449241

IUPACN-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(Cn2cncn2)cc1C
InChIInChI=1S/C11H16N4O/c1-3-12-5-11-9(2)4-10(16-11)6-15-8-13-7-14-15/h4,7-8,12H,3,5-6H2,1-2H3
InChIKeyLLHCROMDWQVMLO-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.34
Rot. Bonds5

About N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine

N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 62449241) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID62449241
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(Cn2cncn2)cc1C
InChIInChI=1S/C11H16N4O/c1-3-12-5-11-9(2)4-10(16-11)6-15-8-13-7-14-15/h4,7-8,12H,3,5-6H2,1-2H3
InChIKeyLLHCROMDWQVMLO-UHFFFAOYSA-N
XLogP1.34
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 55072838
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62448437
N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80729952
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936
N-[[5-[(4-bromopyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62443302
2-methyl-N-[[5-methyl-4-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62447754
2-methyl-N-[[3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073324
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62440418
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62432618
N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 55072792
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
N-[[5-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 82699299

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine (CID 62449241) is N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine is CCNCc1oc(Cn2cncn2)cc1C.
What is the InChIKey of N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is LLHCROMDWQVMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-12-5-11-9(2)4-10(16-11)6-15-8-13-7-14-15/h4,7-8,12H,3,5-6H2,1-2H3.
What are the key properties of N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine?
N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62449241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).