2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride

C11H16ClN5O — CID 119280138

IUPAC2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc2n[nH]nc2c1.Cl
InChIInChI=1S/C11H15N5O.ClH/c1-2-3-8(12)11(17)13-7-4-5-9-10(6-7)15-16-14-9;/h4-6,8H,2-3,12H2,1H3,(H,13,17)(H,14,15,16);1H
InChIKeyTUXPZKPKNUPJCO-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.45
Rot. Bonds4

About 2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride

2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride (PubChem CID 119280138) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride
PubChem CID119280138
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc2n[nH]nc2c1.Cl
InChIInChI=1S/C11H15N5O.ClH/c1-2-3-8(12)11(17)13-7-4-5-9-10(6-7)15-16-14-9;/h4-6,8H,2-3,12H2,1H3,(H,13,17)(H,14,15,16);1H
InChIKeyTUXPZKPKNUPJCO-UHFFFAOYSA-N
XLogP1.45
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2H-benzotriazol-5-yl)-3,3-dimethylbutanamide
CID 119706416
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
propyl N-(2H-benzotriazol-5-yl)carbamate
CID 135188444
5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
CID 119316574
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride (CID 119280138) is 2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc2n[nH]nc2c1.Cl.
What is the InChIKey of 2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride?
The InChIKey is TUXPZKPKNUPJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O.ClH/c1-2-3-8(12)11(17)13-7-4-5-9-10(6-7)15-16-14-9;/h4-6,8H,2-3,12H2,1H3,(H,13,17)(H,14,15,16);1H.
What are the key properties of 2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride?
2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride has a molecular weight of 269.74 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119280138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).