1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide

C12H16N4O2 — CID 60740881

IUPAC1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)N(C)CCO)ccc21
InChIInChI=1S/C12H16N4O2/c1-3-16-11-5-4-9(8-10(11)13-14-16)12(18)15(2)6-7-17/h4-5,8,17H,3,6-7H2,1-2H3
InChIKeyOMTQGNYYLANMNY-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.52
Rot. Bonds4

About 1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide

1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide (PubChem CID 60740881) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide
PubChem CID60740881
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)N(C)CCO)ccc21
InChIInChI=1S/C12H16N4O2/c1-3-16-11-5-4-9(8-10(11)13-14-16)12(18)15(2)6-7-17/h4-5,8,17H,3,6-7H2,1-2H3
InChIKeyOMTQGNYYLANMNY-UHFFFAOYSA-N
XLogP0.52
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide
CID 26980273
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
CID 32760587
1-ethyl-N-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzotriazole-5-carboxamide
CID 46296446
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 30806374
1-ethyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzotriazole-5-carboxamide
CID 38075234
ethyl 2-[(1-ethylbenzotriazole-5-carbonyl)-propylamino]acetate
CID 78902105
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
CID 9203744
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylbenzotriazole-5-carboxamide
CID 104857209
1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide (CID 60740881) is 1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)N(C)CCO)ccc21.
What is the InChIKey of 1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide?
The InChIKey is OMTQGNYYLANMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-16-11-5-4-9(8-10(11)13-14-16)12(18)15(2)6-7-17/h4-5,8,17H,3,6-7H2,1-2H3.
What are the key properties of 1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide?
1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 60740881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).