N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide

C9H15N5O2 — CID 103548678

IUPACN-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC1COCCN1
InChIInChI=1S/C9H15N5O2/c15-9(6-14-3-1-12-13-14)11-5-8-7-16-4-2-10-8/h1,3,8,10H,2,4-7H2,(H,11,15)
InChIKeyGISGAUPMUBBXDE-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.62
Rot. Bonds4

About N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide

N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide (PubChem CID 103548678) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide
PubChem CID103548678
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC1COCCN1
InChIInChI=1S/C9H15N5O2/c15-9(6-14-3-1-12-13-14)11-5-8-7-16-4-2-10-8/h1,3,8,10H,2,4-7H2,(H,11,15)
InChIKeyGISGAUPMUBBXDE-UHFFFAOYSA-N
XLogP-1.62
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide (CID 103548678) is N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCC1COCCN1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide?
The InChIKey is GISGAUPMUBBXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c15-9(6-14-3-1-12-13-14)11-5-8-7-16-4-2-10-8/h1,3,8,10H,2,4-7H2,(H,11,15).
What are the key properties of N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide?
N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of -1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 103548678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).