N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide

C10H12N4O2 — CID 83031665

IUPACN-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C10H12N4O2/c1-6(15)5-11-10(16)7-2-3-8-9(4-7)13-14-12-8/h2-4,6,15H,5H2,1H3,(H,11,16)(H,12,13,14)/t6-/m1/s1
InChIKeyFGEPTXLQIYNVTM-ZCFIWIBFSA-N
MW220.23 g/mol
LogP0.07
Rot. Bonds3

About N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide

N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide (PubChem CID 83031665) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
PubChem CID83031665
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C10H12N4O2/c1-6(15)5-11-10(16)7-2-3-8-9(4-7)13-14-12-8/h2-4,6,15H,5H2,1H3,(H,11,16)(H,12,13,14)/t6-/m1/s1
InChIKeyFGEPTXLQIYNVTM-ZCFIWIBFSA-N
XLogP0.07
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-2H-benzotriazole-5-carboxamide
CID 103861558
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816425
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816424
N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
CID 65114221
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
CID 79252072
N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
CID 27162728
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide (CID 83031665) is N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide is C[C@@H](O)CNC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is FGEPTXLQIYNVTM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6(15)5-11-10(16)7-2-3-8-9(4-7)13-14-12-8/h2-4,6,15H,5H2,1H3,(H,11,16)(H,12,13,14)/t6-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide?
N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 83031665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).