N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide

C14H18N4O2 — CID 99834227

IUPACN-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H18N4O2/c1-14(2,20-3)13(19)15-12-10-18(17-16-12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,19)
InChIKeyHRQTZIPSHRCABB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.69
Rot. Bonds5

About N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide

N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide (PubChem CID 99834227) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide
PubChem CID99834227
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H18N4O2/c1-14(2,20-3)13(19)15-12-10-18(17-16-12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,19)
InChIKeyHRQTZIPSHRCABB-UHFFFAOYSA-N
XLogP1.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide (CID 99834227) is N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cn(Cc2ccccc2)nn1.
What is the InChIKey of N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is HRQTZIPSHRCABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,20-3)13(19)15-12-10-18(17-16-12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,19).
What are the key properties of N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide?
N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 274.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 99834227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).