N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride

C12H18ClN5O — CID 119625904

IUPACN-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
SMILESCl.Cn1nnc2cc(C(=O)NCC(C)(C)N)ccc21
InChIInChI=1S/C12H17N5O.ClH/c1-12(2,13)7-14-11(18)8-4-5-10-9(6-8)15-16-17(10)3;/h4-6H,7,13H2,1-3H3,(H,14,18);1H
InChIKeyUWUVOSBYXUPNHP-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.86
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride (PubChem CID 119625904) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
PubChem CID119625904
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC NameN-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
SMILESCl.Cn1nnc2cc(C(=O)NCC(C)(C)N)ccc21
InChIInChI=1S/C12H17N5O.ClH/c1-12(2,13)7-14-11(18)8-4-5-10-9(6-8)15-16-17(10)3;/h4-6H,7,13H2,1-3H3,(H,14,18);1H
InChIKeyUWUVOSBYXUPNHP-UHFFFAOYSA-N
XLogP0.86
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119612905
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide
CID 28666996
N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051571
2-[(1-methylbenzotriazole-5-carbonyl)amino]butanoic acid
CID 119223248
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide
CID 111565667
1-methyl-N-(3-pyridin-2-ylpropyl)benzotriazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 154892565
N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119628263
N-[(1S,2S)-2-(2-hydroxyethyl)cyclopentyl]-1-methylbenzotriazole-5-carboxamide
CID 99778269

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride (CID 119625904) is N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride is Cl.Cn1nnc2cc(C(=O)NCC(C)(C)N)ccc21.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride?
The InChIKey is UWUVOSBYXUPNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.ClH/c1-12(2,13)7-14-11(18)8-4-5-10-9(6-8)15-16-17(10)3;/h4-6H,7,13H2,1-3H3,(H,14,18);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119625904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).