2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine

C13H21N5O — CID 62462013

IUPAC2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine
SMILESCCNCc1cn(CCN(C)Cc2ccoc2)nn1
InChIInChI=1S/C13H21N5O/c1-3-14-8-13-10-18(16-15-13)6-5-17(2)9-12-4-7-19-11-12/h4,7,10-11,14H,3,5-6,8-9H2,1-2H3
InChIKeyYQEVYNPJGVSREJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds8

About 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine

2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine (PubChem CID 62462013) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine
PubChem CID62462013
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine
SMILESCCNCc1cn(CCN(C)Cc2ccoc2)nn1
InChIInChI=1S/C13H21N5O/c1-3-14-8-13-10-18(16-15-13)6-5-17(2)9-12-4-7-19-11-12/h4,7,10-11,14H,3,5-6,8-9H2,1-2H3
InChIKeyYQEVYNPJGVSREJ-UHFFFAOYSA-N
XLogP1.11
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine?
The IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine (CID 62462013) is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine?
The canonical SMILES for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine is CCNCc1cn(CCN(C)Cc2ccoc2)nn1.
What is the InChIKey of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine?
The InChIKey is YQEVYNPJGVSREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-14-8-13-10-18(16-15-13)6-5-17(2)9-12-4-7-19-11-12/h4,7,10-11,14H,3,5-6,8-9H2,1-2H3.
What are the key properties of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine?
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine has a molecular weight of 263.34 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(furan-3-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 62462013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).