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

C10H19N5O — CID 67754572

IUPACN-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine
SMILESCNCCn1cnc(CN2CCOCC2)n1
InChIInChI=1S/C10H19N5O/c1-11-2-3-15-9-12-10(13-15)8-14-4-6-16-7-5-14/h9,11H,2-8H2,1H3
InChIKeyZELUZDHTRIPHGE-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.67
Rot. Bonds5

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

N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine (PubChem CID 67754572) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine
PubChem CID67754572
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine
SMILESCNCCn1cnc(CN2CCOCC2)n1
InChIInChI=1S/C10H19N5O/c1-11-2-3-15-9-12-10(13-15)8-14-4-6-16-7-5-14/h9,11H,2-8H2,1H3
InChIKeyZELUZDHTRIPHGE-UHFFFAOYSA-N
XLogP-0.67
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine (CID 67754572) is N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine is CNCCn1cnc(CN2CCOCC2)n1.
What is the InChIKey of N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine?
The InChIKey is ZELUZDHTRIPHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-11-2-3-15-9-12-10(13-15)8-14-4-6-16-7-5-14/h9,11H,2-8H2,1H3.
What are the key properties of N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine?
N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine has a molecular weight of 225.30 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(morpholin-4-ylmethyl)-1,2,4-triazol-1-yl]ethanamine is sourced from PubChem (CID 67754572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).