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

C12H19N5O — CID 62462012

IUPACN-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine
SMILESCNCc1cn(CCN(C)Cc2ccoc2)nn1
InChIInChI=1S/C12H19N5O/c1-13-7-12-9-17(15-14-12)5-4-16(2)8-11-3-6-18-10-11/h3,6,9-10,13H,4-5,7-8H2,1-2H3
InChIKeyLZAJFXNMZDSMQH-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.72
Rot. Bonds7

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

N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine (PubChem CID 62462012) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine
PubChem CID62462012
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine
SMILESCNCc1cn(CCN(C)Cc2ccoc2)nn1
InChIInChI=1S/C12H19N5O/c1-13-7-12-9-17(15-14-12)5-4-16(2)8-11-3-6-18-10-11/h3,6,9-10,13H,4-5,7-8H2,1-2H3
InChIKeyLZAJFXNMZDSMQH-UHFFFAOYSA-N
XLogP0.72
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine (CID 62462012) is N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine is CNCc1cn(CCN(C)Cc2ccoc2)nn1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine?
The InChIKey is LZAJFXNMZDSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-13-7-12-9-17(15-14-12)5-4-16(2)8-11-3-6-18-10-11/h3,6,9-10,13H,4-5,7-8H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine?
N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine has a molecular weight of 249.32 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]ethanamine is sourced from PubChem (CID 62462012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).