2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide

C12H17N5O — CID 175536670

IUPAC2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide
SMILESCNC(=O)C(N)CCCc1cccc2n[nH]nc12
InChIInChI=1S/C12H17N5O/c1-14-12(18)9(13)6-2-4-8-5-3-7-10-11(8)16-17-15-10/h3,5,7,9H,2,4,6,13H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyLWFODUHTISHZAX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.35
Rot. Bonds5

About 2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide

2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide (PubChem CID 175536670) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide
PubChem CID175536670
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide
SMILESCNC(=O)C(N)CCCc1cccc2n[nH]nc12
InChIInChI=1S/C12H17N5O/c1-14-12(18)9(13)6-2-4-8-5-3-7-10-11(8)16-17-15-10/h3,5,7,9H,2,4,6,13H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyLWFODUHTISHZAX-UHFFFAOYSA-N
XLogP0.35
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methoxyhexyl)-2H-benzotriazole
CID 175379430
(2S)-2-amino-N,6-dimethylheptanamide
CID 166554166
2-amino-5-quinolin-5-ylpentanamide
CID 174575975
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
2-amino-5-hydroxy-N-methylpentanamide;ethane
CID 155713743
[2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] 2H-benzotriazole-4-carboxylate
CID 99794821
2-amino-N-methyltetradecanamide
CID 88912425
2,6-diamino-N-methylhexanamide;ethane
CID 142474602
2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride
CID 119280138
2-amino-6-hydrazinyl-N-methylhexanamide
CID 167194114
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
2H-benzotriazol-4-yl 2-(2H-benzotriazol-4-yloxycarbonyloxy)ethyl carbonate
CID 122616864

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide?
The IUPAC name of 2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide (CID 175536670) is 2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide.
What is the SMILES notation for 2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide?
The canonical SMILES for 2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide is CNC(=O)C(N)CCCc1cccc2n[nH]nc12.
What is the InChIKey of 2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide?
The InChIKey is LWFODUHTISHZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-14-12(18)9(13)6-2-4-8-5-3-7-10-11(8)16-17-15-10/h3,5,7,9H,2,4,6,13H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide?
2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide has a molecular weight of 247.30 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide is sourced from PubChem (CID 175536670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).