N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide

C15H20N4O2 — CID 99778269

IUPACN-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)N[C@H]3CCC[C@H]3CCO)ccc21
InChIInChI=1S/C15H20N4O2/c1-19-14-6-5-11(9-13(14)17-18-19)15(21)16-12-4-2-3-10(12)7-8-20/h5-6,9-10,12,20H,2-4,7-8H2,1H3,(H,16,21)/t10-,12-/m0/s1
InChIKeyXFHMRSDDPSPUHQ-JQWIXIFHSA-N
MW288.35 g/mol
LogP1.25
Rot. Bonds4

About N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide

N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide (PubChem CID 99778269) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide
PubChem CID99778269
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)N[C@H]3CCC[C@H]3CCO)ccc21
InChIInChI=1S/C15H20N4O2/c1-19-14-6-5-11(9-13(14)17-18-19)15(21)16-12-4-2-3-10(12)7-8-20/h5-6,9-10,12,20H,2-4,7-8H2,1H3,(H,16,21)/t10-,12-/m0/s1
InChIKeyXFHMRSDDPSPUHQ-JQWIXIFHSA-N
XLogP1.25
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-pyrrolidin-3-ylbenzotriazole-5-carboxamide
CID 119449625
N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119612905
1-ethyl-N-[(1R,2R)-2-methylcyclohexyl]benzotriazole-5-carboxamide
CID 26800374
N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119625904
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051571
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
2-[(1-methylbenzotriazole-5-carbonyl)amino]butanoic acid
CID 119223248
N-[2-(hydroxymethyl)cyclohexyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106364538
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96500738

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide (CID 99778269) is N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide is Cn1nnc2cc(C(=O)N[C@H]3CCC[C@H]3CCO)ccc21.
What is the InChIKey of N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide?
The InChIKey is XFHMRSDDPSPUHQ-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-14-6-5-11(9-13(14)17-18-19)15(21)16-12-4-2-3-10(12)7-8-20/h5-6,9-10,12,20H,2-4,7-8H2,1H3,(H,16,21)/t10-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide?
N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 99778269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).