N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide

C8H14N4O — CID 157037644

IUPACN-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide
SMILESCCn1nnc(C)c1CNC(C)=O
InChIInChI=1S/C8H14N4O/c1-4-12-8(5-9-7(3)13)6(2)10-11-12/h4-5H2,1-3H3,(H,9,13)
InChIKeyCWQORINAKQUDER-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.24
Rot. Bonds3

About N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide

N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide (PubChem CID 157037644) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide
PubChem CID157037644
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide
SMILESCCn1nnc(C)c1CNC(C)=O
InChIInChI=1S/C8H14N4O/c1-4-12-8(5-9-7(3)13)6(2)10-11-12/h4-5H2,1-3H3,(H,9,13)
InChIKeyCWQORINAKQUDER-UHFFFAOYSA-N
XLogP0.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide (CID 157037644) is N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide is CCn1nnc(C)c1CNC(C)=O.
What is the InChIKey of N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide?
The InChIKey is CWQORINAKQUDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4-12-8(5-9-7(3)13)6(2)10-11-12/h4-5H2,1-3H3,(H,9,13).
What are the key properties of N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide?
N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide has a molecular weight of 182.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 157037644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).