N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C10H17N5O2 — CID 66428762

IUPACN-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CC1CNCCO1
InChIInChI=1S/C10H17N5O2/c1-15(6-9-12-7-13-14-9)10(16)4-8-5-11-2-3-17-8/h7-8,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyIKCSAJQBQPREIU-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.86
Rot. Bonds4

About N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 66428762) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID66428762
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CC1CNCCO1
InChIInChI=1S/C10H17N5O2/c1-15(6-9-12-7-13-14-9)10(16)4-8-5-11-2-3-17-8/h7-8,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyIKCSAJQBQPREIU-UHFFFAOYSA-N
XLogP-0.86
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66433193
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66428059
N-butyl-N-methyl-2-morpholin-2-ylacetamide
CID 66433567
N-[(2-chlorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66429544
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66427007
N-methyl-N-[(3-methylphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66429127
N-methyl-2-(thian-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 80709848
N-methyl-2-morpholin-2-yl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680862
N-(2-methoxyethyl)-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119707199
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 77092764
N-methyl-2-morpholin-2-yl-N-[(4-phenoxyphenyl)methyl]acetamide
CID 70776717
N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64519222

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 66428762) is N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CN(Cc1ncn[nH]1)C(=O)CC1CNCCO1.
What is the InChIKey of N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is IKCSAJQBQPREIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15(6-9-12-7-13-14-9)10(16)4-8-5-11-2-3-17-8/h7-8,11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 239.28 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 66428762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).