2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide

C12H17N5O — CID 10377301

IUPAC2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C12H17N5O/c1-16(2)8-7-13-12(18)9-17-11-6-4-3-5-10(11)14-15-17/h3-6H,7-9H2,1-2H3,(H,13,18)
InChIKeyCCPYVEZOFYKOMC-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.11
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide

2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 10377301) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID10377301
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C12H17N5O/c1-16(2)8-7-13-12(18)9-17-11-6-4-3-5-10(11)14-15-17/h3-6H,7-9H2,1-2H3,(H,13,18)
InChIKeyCCPYVEZOFYKOMC-UHFFFAOYSA-N
XLogP0.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 46461924
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
CID 7504393
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
methyl N-[2-[[[2-(benzotriazol-1-yl)acetyl]amino]carbamoylamino]ethyl]carbamate
CID 166386173
2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
CID 19294552
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide
CID 23610176
2-(benzotriazol-1-yl)-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]acetamide
CID 51284087
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 8976213
2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide
CID 19323056

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide (CID 10377301) is 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is CCPYVEZOFYKOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-16(2)8-7-13-12(18)9-17-11-6-4-3-5-10(11)14-15-17/h3-6H,7-9H2,1-2H3,(H,13,18).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 10377301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).