N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide

C10H12N4O2 — CID 60740284

IUPACN-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCN(CCO)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C10H12N4O2/c1-14(4-5-15)10(16)7-2-3-8-9(6-7)12-13-11-8/h2-3,6,15H,4-5H2,1H3,(H,11,12,13)
InChIKeyMQXCQVINYZCBQS-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.02
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide

N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide (PubChem CID 60740284) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
PubChem CID60740284
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCN(CCO)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C10H12N4O2/c1-14(4-5-15)10(16)7-2-3-8-9(6-7)12-13-11-8/h2-3,6,15H,4-5H2,1H3,(H,11,12,13)
InChIKeyMQXCQVINYZCBQS-UHFFFAOYSA-N
XLogP0.02
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
CID 54916380
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide
CID 115759787
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
2-[2H-benzotriazole-5-carbonyl(methyl)amino]propanoic acid
CID 62626737
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide
CID 60740881
N-(2-hydroxyethyl)-N-methyl-1H-indazole-6-carboxamide
CID 60960458
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82110320
N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide (CID 60740284) is N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide is CN(CCO)C(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide?
The InChIKey is MQXCQVINYZCBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-14(4-5-15)10(16)7-2-3-8-9(6-7)12-13-11-8/h2-3,6,15H,4-5H2,1H3,(H,11,12,13).
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide?
N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 60740284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).