1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide

C15H16N4O3 — CID 86981112

IUPAC1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCC(O)c3ccco3)ccc21
InChIInChI=1S/C15H16N4O3/c1-2-19-12-6-5-10(8-11(12)17-18-19)15(21)16-9-13(20)14-4-3-7-22-14/h3-8,13,20H,2,9H2,1H3,(H,16,21)
InChIKeyMPAUFLAZAXJWNL-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.51
Rot. Bonds5

About 1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide

1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide (PubChem CID 86981112) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide
PubChem CID86981112
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCC(O)c3ccco3)ccc21
InChIInChI=1S/C15H16N4O3/c1-2-19-12-6-5-10(8-11(12)17-18-19)15(21)16-9-13(20)14-4-3-7-22-14/h3-8,13,20H,2,9H2,1H3,(H,16,21)
InChIKeyMPAUFLAZAXJWNL-UHFFFAOYSA-N
XLogP1.51
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide
CID 94183539
1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide
CID 111115972
1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide
CID 109380792
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
CID 134053070
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylbenzotriazole-5-carboxamide
CID 104857209

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide (CID 86981112) is 1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCC(O)c3ccco3)ccc21.
What is the InChIKey of 1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide?
The InChIKey is MPAUFLAZAXJWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-2-19-12-6-5-10(8-11(12)17-18-19)15(21)16-9-13(20)14-4-3-7-22-14/h3-8,13,20H,2,9H2,1H3,(H,16,21).
What are the key properties of 1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide?
1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 86981112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).