1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide

C13H18N4O2 — CID 65031697

IUPAC1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCC(C)CO)ccc21
InChIInChI=1S/C13H18N4O2/c1-3-17-12-5-4-10(6-11(12)15-16-17)13(19)14-7-9(2)8-18/h4-6,9,18H,3,7-8H2,1-2H3,(H,14,19)
InChIKeyJTSWCCRTZCSLJH-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.81
Rot. Bonds5

About 1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide

1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide (PubChem CID 65031697) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
PubChem CID65031697
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCC(C)CO)ccc21
InChIInChI=1S/C13H18N4O2/c1-3-17-12-5-4-10(6-11(12)15-16-17)13(19)14-7-9(2)8-18/h4-6,9,18H,3,7-8H2,1-2H3,(H,14,19)
InChIKeyJTSWCCRTZCSLJH-UHFFFAOYSA-N
XLogP0.81
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide
CID 111115972
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylbenzotriazole-5-carboxamide
CID 104857209
1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide
CID 109380792
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide
CID 94183539
1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide
CID 86981112
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
1-ethyl-N-[3-(2-methylpropoxy)propyl]benzotriazole-5-carboxamide
CID 51297094
1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
CID 134053070
1-ethyl-N-[3-(hydroxymethyl)pentan-3-yl]benzotriazole-5-carboxamide
CID 62520841

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide (CID 65031697) is 1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCC(C)CO)ccc21.
What is the InChIKey of 1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide?
The InChIKey is JTSWCCRTZCSLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-17-12-5-4-10(6-11(12)15-16-17)13(19)14-7-9(2)8-18/h4-6,9,18H,3,7-8H2,1-2H3,(H,14,19).
What are the key properties of 1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide?
1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 65031697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).