2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide

C12H22N6O2 — CID 114399986

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
SMILESCCN1CCOC(CNC(=O)Cn2cc(CN)nn2)C1
InChIInChI=1S/C12H22N6O2/c1-2-17-3-4-20-11(8-17)6-14-12(19)9-18-7-10(5-13)15-16-18/h7,11H,2-6,8-9,13H2,1H3,(H,14,19)
InChIKeyXIPUAWKVGHROBK-UHFFFAOYSA-N
MW282.35 g/mol
LogP-1.43
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide (PubChem CID 114399986) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
PubChem CID114399986
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
SMILESCCN1CCOC(CNC(=O)Cn2cc(CN)nn2)C1
InChIInChI=1S/C12H22N6O2/c1-2-17-3-4-20-11(8-17)6-14-12(19)9-18-7-10(5-13)15-16-18/h7,11H,2-6,8-9,13H2,1H3,(H,14,19)
InChIKeyXIPUAWKVGHROBK-UHFFFAOYSA-N
XLogP-1.43
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
[1-[(4-ethylmorpholin-2-yl)methyl]triazol-4-yl]methanol
CID 79183183
N-[(4-ethylmorpholin-2-yl)methyl]-2-piperazin-1-ylacetamide
CID 114399910
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
(4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 79183086
4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114398981
2-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 115976418
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea
CID 114400875

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide (CID 114399986) is 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide is CCN1CCOC(CNC(=O)Cn2cc(CN)nn2)C1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide?
The InChIKey is XIPUAWKVGHROBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-2-17-3-4-20-11(8-17)6-14-12(19)9-18-7-10(5-13)15-16-18/h7,11H,2-6,8-9,13H2,1H3,(H,14,19).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide has a molecular weight of 282.35 g/mol, XLogP of -1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[(4-ethylmorpholin-2-yl)methyl]acetamide is sourced from PubChem (CID 114399986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).