N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide

C12H22N4O2 — CID 118779396

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide
SMILESCOCCn1cnnc1CCNC(=O)C(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-12(2,3)11(17)13-6-5-10-15-14-9-16(10)7-8-18-4/h9H,5-8H2,1-4H3,(H,13,17)
InChIKeyLSWNSAUSALBLDJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.63
Rot. Bonds6

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 118779396) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID118779396
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide
SMILESCOCCn1cnnc1CCNC(=O)C(C)(C)C
InChIInChI=1S/C12H22N4O2/c1-12(2,3)11(17)13-6-5-10-15-14-9-16(10)7-8-18-4/h9H,5-8H2,1-4H3,(H,13,17)
InChIKeyLSWNSAUSALBLDJ-UHFFFAOYSA-N
XLogP0.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide (CID 118779396) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide is COCCn1cnnc1CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is LSWNSAUSALBLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,3)11(17)13-6-5-10-15-14-9-16(10)7-8-18-4/h9H,5-8H2,1-4H3,(H,13,17).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 254.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118779396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).